{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.25059 7.697769 7.355153 7.106224 6.910596 6.749421 6.612361 6.493131 6.38762 6.292996 6.20722 6.128778 6.056514 5.989526 5.927094 5.86864 5.813686 5.761836 5.712759 5.666173 5.621837 5.579544 5.539114 5.50039 5.461242 5.420899 5.379287 5.336323 5.291916 5.245966 5.198363 5.148981 5.097684 5.044317 4.988706 4.930653 4.869935 4.806294 4.739435 4.669016 4.594636 4.515821 4.432011 4.342528 4.246549 4.143056 4.030771 3.908062 3.772791 3.622093 3.451989 3.256731 3.027568 2.7502 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.250590000000001e-10 7.697769e-10 7.355153e-10 7.106224e-10 6.910596000000001e-10 6.749421e-10 6.612361e-10 6.493131000000001e-10 6.38762e-10 6.292996e-10 6.20722e-10 6.128778e-10 6.056514e-10 5.989526e-10 5.927094e-10 5.86864e-10 5.813686e-10 5.761836e-10 5.712759000000001e-10 5.666173e-10 5.621837000000001e-10 5.579544000000001e-10 5.539114e-10 5.500390000000001e-10 5.461242000000001e-10 5.420899e-10 5.379287e-10 5.336323000000001e-10 5.291916e-10 5.245966000000001e-10 5.198363e-10 5.148981000000001e-10 5.097684e-10 5.044317e-10 4.988705999999999e-10 4.930653000000001e-10 4.869935e-10 4.806294e-10 4.739435e-10 4.669016e-10 4.5946360000000004e-10 4.515821e-10 4.432011e-10 4.342528e-10 4.246549e-10 4.143056e-10 4.0307709999999997e-10 3.9080620000000005e-10 3.772791e-10 3.622093e-10 3.451989e-10 3.256731e-10 3.027568e-10 2.7502e-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" [ 0.91809 1.15001 1.31697 1.45367 1.5681 1.66283 1.74327 1.8146 1.87992 1.93957 1.99222 2.03736 2.07539 2.10706 2.13318 2.15451 2.17172 2.18542 2.19618 2.20442 2.21045 2.21452 2.21682 2.21755 2.21681 2.21451 2.2106 2.20501 2.19778 2.18903 2.17907 2.16842 2.15783 2.14814 2.13934 2.12883 2.10863 2.06578 1.99528 1.89236 1.74755 1.54362 1.25652 0.851503 0.276783 -0.553757 -1.79731 -3.76501 -7.15858 -13.7324 -28.2809 -67.151 -200.872 -852.916 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4709423459090599e-19 1.84251915086634e-19 2.1100185616789798e-19 2.32903610754678e-19 2.5123731797754e-19 2.66414737231422e-19 2.79302646075318e-19 2.9073097200564e-19 3.01196389778928e-19 3.1075337340073796e-19 3.19188833378748e-19 3.26421058704624e-19 3.32514136443726e-19 3.37588229843604e-19 3.4177311521161196e-19 3.45190557971934e-19 3.47947903959048e-19 3.50142885947628e-19 3.5186682800581197e-19 3.5318702155222797e-19 3.5415313406252997e-19 3.5480521995256793e-19 3.5517372057838797e-19 3.5529067947267e-19 3.55172118401754e-19 3.5480361777593403e-19 3.5417716671203996e-19 3.53281549973634e-19 3.5212317626725197e-19 3.5072127171250193e-19 3.4912550378503797e-19 3.4741918566982797e-19 3.45722480614422e-19 3.44169971456076e-19 3.4276005601815596e-19 3.4107616837582195e-19 3.3783977157514194e-19 3.3097444469845203e-19 3.19679099428752e-19 3.03189497511624e-19 2.7998837767466997e-19 2.4731518957750797e-19 2.01316698415368e-19 1.3642582103809018e-19 4.43455255288422e-20 -8.87216526313938e-20 -2.87960808605454e-19 -6.03221104877634e-19 -1.1469309608619719e-18 -2.20017304087416e-18 -4.53109971684906e-18 -1.0758776314973399e-17 -3.21832424824848e-17 -1.366522085964744e-16 ] } }