{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.99207 7.456572 7.124692 6.883564 6.694066 6.537941 6.405176 6.289682 6.187478 6.095819 6.012731 5.936747 5.866747 5.801858 5.741383 5.684761 5.631528 5.581304 5.533764 5.488638 5.445692 5.404724 5.365561 5.32805 5.302513 5.275637 5.247273 5.217246 5.18535 5.151336 5.114903 5.07568 5.033205 4.986887 4.935964 4.879416 4.815845 4.743256 4.658661 4.557285 4.430782 4.26244 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.99207e-10 7.456572e-10 7.124692e-10 6.883564e-10 6.694066e-10 6.537941e-10 6.405176e-10 6.289682e-10 6.187478e-10 6.095819e-10 6.012731e-10 5.936747e-10 5.866747000000001e-10 5.801858e-10 5.741383e-10 5.684761e-10 5.631528e-10 5.581304e-10 5.533764e-10 5.488638e-10 5.445692000000001e-10 5.404724e-10 5.365561e-10 5.32805e-10 5.302513e-10 5.275637e-10 5.247273e-10 5.217246000000001e-10 5.18535e-10 5.151336e-10 5.114903000000001e-10 5.07568e-10 5.033205e-10 4.986887000000001e-10 4.935964e-10 4.879416e-10 4.815845000000001e-10 4.743256e-10 4.658661000000001e-10 4.557285e-10 4.430782e-10 4.26244e-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" [ 1.44572 1.77585 2.01553 2.20459 2.35988 2.49046 2.60191 2.69797 2.78127 2.85378 2.91699 2.97209 3.02002 3.06155 3.09734 3.12791 3.15375 3.17523 3.19271 3.20649 3.21683 3.22398 3.22812 3.22947 3.22882 3.22671 3.2228 3.2167 3.20789 3.19572 3.17932 3.15754 3.12882 3.091 3.04102 2.97436 2.88416 2.75936 2.58154 2.31634 1.89206 1.12158 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3162988033064797e-19 2.8452253754889e-19 3.2292350711260197e-19 3.53214258555006e-19 3.7809445950439196e-19 3.9901568199116397e-19 4.16871940577094e-19 4.32262449323298e-19 4.45608580684518e-19 4.572259634576519e-19 4.67353321961166e-19 4.76181315214506e-19 4.83860547821268e-19 4.9051438738227e-19 4.96248577555356e-19 5.01146431525494e-19 5.0528645594775e-19 5.08727931357582e-19 5.11528536113814e-19 5.137363355154659e-19 5.15392986155022e-19 5.16538542448332e-19 5.17201843574808e-19 5.174181374203979e-19 5.173139959391879e-19 5.16975936669414e-19 5.1634948560552e-19 5.1537215785878e-19 5.139606402442259e-19 5.12010791280648e-19 5.09383221600888e-19 5.05893680892036e-19 5.01292229599188e-19 4.952327975694e-19 4.87225118752668e-19 4.76545009310424e-19 4.62093376071744e-19 4.42098211679424e-19 4.1360830677363596e-19 3.7111858243995595e-19 3.0314143221260397e-19 1.79696926916172e-19 ] } }