{ "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" [ 7.49634 6.994058 6.682763 6.456591 6.278847 6.132406 6.007876 5.899545 5.803681 5.717707 5.639772 5.568501 5.502844 5.441979 5.385256 5.332145 5.282215 5.235105 5.190515 5.148187 5.107905 5.069478 5.032744 4.99756 4.96199 4.925336 4.887527 4.848491 4.808144 4.766395 4.723143 4.678275 4.631668 4.583179 4.532652 4.479906 4.424738 4.366915 4.306168 4.242187 4.174606 4.102996 4.026848 3.945545 3.85834 3.764307 3.662287 3.550795 3.427891 3.290969 3.136414 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.496340000000001e-10 6.994058e-10 6.682763e-10 6.456591e-10 6.278847000000001e-10 6.132406e-10 6.007876000000001e-10 5.899545e-10 5.803681e-10 5.717707e-10 5.639772e-10 5.568501e-10 5.502843999999999e-10 5.441979e-10 5.385256e-10 5.332144999999999e-10 5.282215e-10 5.235105e-10 5.190515e-10 5.148187e-10 5.107905e-10 5.069478e-10 5.032744e-10 4.99756e-10 4.96199e-10 4.925336e-10 4.887527e-10 4.848491000000001e-10 4.808144000000001e-10 4.766395000000001e-10 4.723143e-10 4.678275000000001e-10 4.6316680000000003e-10 4.5831790000000003e-10 4.532652e-10 4.479906e-10 4.424738e-10 4.366915e-10 4.3061680000000007e-10 4.2421870000000006e-10 4.174606e-10 4.1029960000000005e-10 4.0268480000000003e-10 3.9455450000000004e-10 3.8583400000000003e-10 3.7643070000000003e-10 3.6622870000000004e-10 3.550795e-10 3.427891e-10 3.2909690000000003e-10 3.136414e-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" [ 0.84353 1.10848 1.30274 1.48817 1.69506 1.89298 2.06977 2.21739 2.33802 2.43763 2.52272 2.60126 2.67601 2.74619 2.81066 2.86871 2.92006 2.96476 3.00302 3.03517 3.06158 3.0825 3.09668 3.10169 3.09625 3.07941 3.05098 3.01106 2.95974 2.8969 2.82222 2.7356 2.63709 2.52617 2.40145 2.26073 2.10117 1.91848 1.70564 1.45907 1.17623 0.849854 0.468094 0.0147208 -0.533101 -1.20629 -2.03779 -3.09385 -4.46648 -6.38482 -9.22886 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.35148405607802e-19 1.7759807552563198e-19 2.0872195881771599e-19 2.3843112014197796e-19 2.7157855252280397e-19 3.03288832462932e-19 3.31613713175418e-19 3.5526504464652596e-19 3.74592101382468e-19 3.9055138283374197e-19 4.04184303812448e-19 4.1676779909588397e-19 4.28744069435034e-19 4.399881450524459e-19 4.50317377811844e-19 4.596180131722139e-19 4.67845190187804e-19 4.75006919741784e-19 4.81136847543468e-19 4.862878454217779e-19 4.90519193912172e-19 4.938709474305e-19 4.96142833897512e-19 4.96945524391146e-19 4.960739403022499e-19 4.93375874850594e-19 4.888208866801319e-19 4.82424997557204e-19 4.74202627071516e-19 4.6413454910346e-19 4.52169494000748e-19 4.3829143999704e-19 4.22508397975506e-19 4.04737054751178e-19 3.8475470777193e-19 3.62208878178282e-19 3.36644547806178e-19 3.07374382879632e-19 2.73273655401576e-19 2.33768786137038e-19 1.88452822220982e-19 1.361616221111436e-19 7.499692693155959e-20 2.35853217937872e-21 -8.54121965762034e-20 -1.93268965182786e-19 -3.26489952299886e-19 -4.9568941791009e-19 -7.156089892228319e-19 -1.022960941629588e-18 -1.4786263850457238e-18 ] } }