{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 4.72039 4.404107 4.208088 4.065669 3.953745 3.861533 3.783117 3.714902 3.654537 3.6004 3.551326 3.506447 3.465103 3.426777 3.391059 3.357615 3.326175 3.29651 3.268432 3.241779 3.216413 3.192216 3.169085 3.14693 3.131847 3.115973 3.09922 3.081485 3.062646 3.042556 3.021037 2.997871 2.972783 2.945426 2.915349 2.88195 2.844402 2.801529 2.751563 2.691687 2.616969 2.51754 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.72039e-10 4.404107e-10 4.208088e-10 4.0656689999999997e-10 3.9537450000000004e-10 3.861533e-10 3.783117e-10 3.714902e-10 3.654537e-10 3.6004000000000003e-10 3.551326e-10 3.5064470000000004e-10 3.465103e-10 3.426777e-10 3.391059e-10 3.357615e-10 3.326175e-10 3.29651e-10 3.2684319999999997e-10 3.241779e-10 3.2164130000000004e-10 3.192216e-10 3.169085e-10 3.14693e-10 3.131847e-10 3.115973e-10 3.09922e-10 3.081485e-10 3.062646e-10 3.042556e-10 3.021037e-10 2.997871e-10 2.972783e-10 2.945426e-10 2.915349e-10 2.88195e-10 2.844402e-10 2.801529e-10 2.751563e-10 2.691687e-10 2.6169690000000003e-10 2.51754e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 6.00431 7.56317 8.52792 9.18318 9.66141 10.0455 10.3789 10.6805 10.9572 11.2114 11.4434 11.6539 11.8435 12.0132 12.1639 12.2965 12.4116 12.5098 12.5916 12.6574 12.7078 12.743 12.7637 12.7705 12.7672 12.7564 12.7365 12.7053 12.6603 12.5978 12.5135 12.4013 12.2527 12.0558 11.7934 11.4391 10.9512 10.2607 9.24372 7.66022 4.99589 -0.0293058 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.61996518529254e-19 1.211753425296978e-18 1.366323416062128e-18 1.471307642181612e-18 1.547928535349394e-18 1.6094665376846999e-18 1.66288310666226e-18 1.7112047539437e-18 1.75553698140648e-18 1.7962643114427596e-18 1.83343480935156e-18 1.86716062749726e-18 1.8975378964778998e-18 1.92472683395688e-18 1.94887163583126e-18 1.9701164979981e-18 1.9885575510554398e-18 2.00429092560132e-18 2.0173967304674398e-18 2.02793905271916e-18 2.03601402295452e-18 2.0416536847062e-18 2.0449701903385797e-18 2.0460596704497e-18 2.04553095216048e-18 2.0438006013957596e-18 2.0406122698940998e-18 2.03561347879602e-18 2.0284036839430196e-18 2.0183900799805197e-18 2.0048837309559e-18 1.98690730912242e-18 1.96309896434118e-18 1.93155210641772e-18 1.8895109915415598e-18 1.8327458733989398e-18 1.75457567542608e-18 1.6439453788483799e-18 1.4810072195238478e-18 1.2273025495299479e-18 8.004298224034259e-19 -4.69530680006772e-21 ] } }