{ "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28228 4.928348 4.708995 4.549623 4.424376 4.321187 4.233437 4.157102 4.089551 4.02897 3.974054 3.923833 3.877567 3.834679 3.794709 3.757285 3.722101 3.688906 3.657485 3.627659 3.599274 3.572197 3.546313 3.52152 3.504642 3.486878 3.468132 3.448286 3.427205 3.404724 3.380644 3.35472 3.326646 3.296033 3.262376 3.225002 3.182985 3.135009 3.079097 3.012094 2.928483 2.81722 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.28228e-10 4.928348e-10 4.708995e-10 4.5496230000000006e-10 4.424376e-10 4.321187e-10 4.2334370000000005e-10 4.157102e-10 4.0895510000000004e-10 4.0289700000000005e-10 3.9740540000000006e-10 3.923833e-10 3.877567e-10 3.834679e-10 3.794709e-10 3.757285e-10 3.722101e-10 3.688906e-10 3.657485e-10 3.627659e-10 3.599274e-10 3.5721970000000004e-10 3.546313e-10 3.5215200000000004e-10 3.504642e-10 3.486878e-10 3.4681320000000005e-10 3.448286e-10 3.427205e-10 3.404724e-10 3.3806440000000003e-10 3.35472e-10 3.3266460000000004e-10 3.296033e-10 3.262376e-10 3.225002e-10 3.182985e-10 3.1350090000000003e-10 3.0790970000000003e-10 3.012094e-10 2.928483e-10 2.81722e-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" [ -0.080561 -0.0419655 0.152003 0.412841 0.719374 1.03315 1.32532 1.58326 1.80478 1.99239 2.15125 2.2862 2.40117 2.49925 2.58282 2.65372 2.71334 2.76278 2.80294 2.83455 2.85824 2.87459 2.88407 2.88714 2.88567 2.88083 2.87188 2.8579 2.83766 2.80955 2.77143 2.72034 2.65014 2.54673 2.39454 2.17331 1.85539 1.39785 0.724014 -0.311201 -1.98489 -5.04483 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.290729507482688e-20 -6.7236142980182406e-21 2.435356528914624e-20 6.614441983076929e-20 1.1525642044113793e-19 1.65528877577952e-19 2.1233967190786562e-19 2.536662156647808e-19 2.891576321687424e-19 3.1921606775157123e-19 3.446682455496e-19 3.6628961904729604e-19 3.8470984365663363e-19 4.0042399195344003e-19 4.1381338197346563e-19 4.251728142149376e-19 4.347249912281473e-19 4.4264615244138235e-19 4.490804937505152e-19 4.54144974048864e-19 4.579405304635392e-19 4.605600892385472e-19 4.620789526750656e-19 4.625708208976513e-19 4.623353009343937e-19 4.615598474499265e-19 4.601258993743104e-19 4.57886056458432e-19 4.546432509779329e-19 4.50139532496864e-19 4.440320352183744e-19 4.358465148627073e-19 4.245992349846912e-19 4.0803112654899843e-19 3.8364760055704324e-19 3.482026471750848e-19 2.972662480466112e-19 2.23960258938528e-19 1.1599983039318913e-19 -4.9859896656958086e-20 -3.1801443528597125e-19 -8.082708681910465e-19 ] } }