{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.19465 7.645578 7.305285 7.058045 6.863743 6.703661 6.56753 6.449109 6.344314 6.250331 6.165137 6.087227 6.015453 5.948919 5.886911 5.828853 5.774271 5.722773 5.674029 5.627759 5.583724 5.541718 5.501562 5.4631 5.424217 5.384148 5.342818 5.300145 5.256039 5.210401 5.16312 5.114073 5.063124 5.010118 4.954884 4.897224 4.836918 4.773708 4.707303 4.637361 4.563485 4.485205 4.401962 4.313086 4.217757 4.114965 4.003442 3.881564 3.747211 3.597534 3.428582 3.234648 3.007038 2.73155 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.194649999999999e-10 7.645578000000001e-10 7.305285e-10 7.058045e-10 6.863743000000001e-10 6.703661e-10 6.56753e-10 6.449109e-10 6.344314e-10 6.250331e-10 6.165137e-10 6.087227000000001e-10 6.015453e-10 5.948919e-10 5.886911e-10 5.828853e-10 5.774270999999999e-10 5.722773000000001e-10 5.674029e-10 5.627759e-10 5.583724e-10 5.541718e-10 5.501562e-10 5.4631e-10 5.424217e-10 5.384148e-10 5.342818000000001e-10 5.300145e-10 5.256039e-10 5.210401e-10 5.163120000000001e-10 5.114073000000001e-10 5.063124e-10 5.010118000000001e-10 4.954884e-10 4.897224e-10 4.836918e-10 4.773708e-10 4.707303e-10 4.6373610000000004e-10 4.563485e-10 4.4852049999999997e-10 4.401962e-10 4.3130860000000005e-10 4.217757e-10 4.114965e-10 4.003442e-10 3.881564e-10 3.747211e-10 3.597534e-10 3.4285820000000004e-10 3.234648e-10 3.0070380000000003e-10 2.73155e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.835693 1.12173 1.3223 1.47744 1.60583 1.71668 1.81476 1.90275 1.98225 2.05428 2.11954 2.17855 2.2317 2.27929 2.32159 2.35881 2.39114 2.41875 2.44179 2.46038 2.47466 2.48474 2.49071 2.49268 2.49052 2.48345 2.47043 2.45022 2.42128 2.38176 2.32935 2.26121 2.17381 2.0627 1.92232 1.74554 1.52328 1.24372 0.891463 0.446124 -0.119601 -0.842816 -1.77474 -2.98731 -4.58377 -6.71565 -9.61154 -13.6273 -19.3382 -27.7163 -40.4989 -61.0122 -96.2259 -162.635 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.338927797797362e-19 1.7972095956568197e-19 2.1185581631381999e-19 2.36711984613696e-19 2.57282330417622e-19 2.7504245840551196e-19 2.90756606831784e-19 3.0485415903434995e-19 3.1759146327465e-19 3.2913194156935194e-19 3.39587746282836e-19 3.4904219060006995e-19 3.5755775940977997e-19 3.6518251801098596e-19 3.7195972517280596e-19 3.77923026604554e-19 3.83102863662276e-19 3.8752647334875e-19 3.91217888313486e-19 3.9419633467609195e-19 3.96484242909444e-19 3.9809923695651596e-19 3.99055736407014e-19 3.9937136520391197e-19 3.99025295050968e-19 3.9789255617073e-19 3.9580652219326194e-19 3.9256852321594793e-19 3.87931824037152e-19 3.8160002197958397e-19 3.7320301424078996e-19 3.62285782656714e-19 3.4828275887555397e-19 3.3048097429517995e-19 3.0798961870708797e-19 2.79666340171236e-19 2.4405636230395196e-19 1.9926591232384798e-19 1.428281188675542e-19 7.147694486666159e-20 -1.91621927603034e-20 -1.350340101961344e-19 -2.84344695942516e-19 -4.786198280514539e-19 -7.34400918963018e-19 -1.07596575121221e-18 -1.5399384804756358e-18 -2.1833341644508197e-18 -3.0983212183618798e-18 -4.44064082409342e-18 -6.48863912827026e-18 -9.775232122893479e-18 -1.5417088856562058e-17 -2.6056999687058995e-17 ] } }