{ "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" [ 8.88422 8.288944 7.920015 7.651969 7.441317 7.267764 7.120178 6.991791 6.878178 6.776287 6.683923 6.599457 6.521643 6.44951 6.382285 6.319341 6.260166 6.204335 6.151489 6.101325 6.053584 6.008043 5.964508 5.92281 5.894423 5.864547 5.833016 5.799638 5.764181 5.726371 5.685871 5.642269 5.595052 5.543565 5.486957 5.424097 5.35343 5.272738 5.1787 5.066008 4.925383 4.73825 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.884219999999999e-10 8.288944000000001e-10 7.920015e-10 7.651969e-10 7.441317e-10 7.267764e-10 7.120178e-10 6.991791000000001e-10 6.878178e-10 6.776287000000001e-10 6.683923e-10 6.599457000000001e-10 6.521643000000001e-10 6.44951e-10 6.382285e-10 6.319341e-10 6.260166e-10 6.204335000000001e-10 6.151489e-10 6.101325e-10 6.053584e-10 6.008043e-10 5.964508000000001e-10 5.922810000000001e-10 5.894423e-10 5.864547e-10 5.833016e-10 5.799638e-10 5.764181e-10 5.726371e-10 5.685871e-10 5.642269e-10 5.595052e-10 5.543565000000001e-10 5.486957000000001e-10 5.424097e-10 5.353430000000001e-10 5.272738000000001e-10 5.1787e-10 5.066008e-10 4.925383e-10 4.73825e-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" [ 1.36213 1.82836 2.15527 2.40815 2.61742 2.79809 2.95796 3.10138 3.23096 3.34836 3.45474 3.55092 3.63754 3.71512 3.78406 3.84473 3.89743 3.94243 3.97998 4.01029 4.03356 4.04998 4.05972 4.06293 4.06136 4.05612 4.04631 4.03077 4.00797 3.97591 3.9319 3.87227 3.79195 3.68367 3.53683 3.33536 3.05396 2.65062 2.051 1.11154 -0.480857 -3.54784 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1823728584704198e-19 2.9293556705402397e-19 3.4531232339611796e-19 3.8582816611670996e-19 4.19356916536428e-19 4.48303441782906e-19 4.73917439630664e-19 4.968958569154919e-19 5.17656861738864e-19 5.36466415422024e-19 5.53510370454516e-19 5.689201053203279e-19 5.82798159324036e-19 5.95227845650608e-19 6.06273251365404e-19 6.15993657003882e-19 6.244371278650619e-19 6.316469227180619e-19 6.376630959787319e-19 6.42519293356386e-19 6.462475583837039e-19 6.488783324167319e-19 6.50438852458248e-19 6.509531511577619e-19 6.507016094262239e-19 6.498620688700079e-19 6.48290333592054e-19 6.45800551102818e-19 6.42147588377298e-19 6.37011010088694e-19 6.2995983072246e-19 6.204060514539179e-19 6.0753736872963e-19 5.90189000136678e-19 5.66662638443022e-19 5.34383585797824e-19 4.89298335317064e-19 4.2467614296130798e-19 3.286064276334e-19 1.7808834157563597e-19 -7.704178496953379e-20 -5.68426634917056e-19 ] } }