{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.91128 4.582207 4.37826 4.230082 4.113632 4.017691 3.936104 3.865131 3.802325 3.745998 3.694939 3.648246 3.60523 3.565354 3.528191 3.493395 3.460683 3.429819 3.400605 3.372874 3.346483 3.321308 3.297241 3.27419 3.258497 3.241981 3.224551 3.206099 3.186498 3.165596 3.143207 3.119104 3.093001 3.064538 3.033245 2.998495 2.959429 2.914822 2.862836 2.800539 2.7228 2.61935 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.91128e-10 4.5822070000000006e-10 4.3782600000000005e-10 4.2300820000000007e-10 4.113632e-10 4.017691e-10 3.936104e-10 3.865131e-10 3.802325e-10 3.745998e-10 3.6949390000000004e-10 3.648246e-10 3.6052300000000004e-10 3.565354e-10 3.528191e-10 3.493395e-10 3.460683e-10 3.429819e-10 3.400605e-10 3.3728740000000003e-10 3.346483e-10 3.321308e-10 3.2972410000000004e-10 3.27419e-10 3.258497e-10 3.241981e-10 3.2245510000000003e-10 3.206099e-10 3.186498e-10 3.165596e-10 3.143207e-10 3.1191040000000004e-10 3.0930010000000004e-10 3.0645380000000003e-10 3.0332450000000003e-10 2.998495e-10 2.959429e-10 2.914822e-10 2.8628360000000003e-10 2.8005390000000003e-10 2.7228e-10 2.61935e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.45221 1.89529 2.21015 2.44231 2.62759 2.76492 2.86986 2.96319 3.05642 3.1534 3.25418 3.35711 3.45878 3.55493 3.64119 3.71348 3.76946 3.80942 3.8357 3.8519 3.8615 3.86701 3.87005 3.87113 3.87044 3.86765 3.8611 3.84792 3.82356 3.78147 3.71328 3.6111 3.47703 3.35443 3.31811 3.26506 3.1762 3.02664 2.76942 2.30899 1.43801 -0.395869 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.326696910491968e-19 3.036589327636032e-19 3.5410506584611202e-19 3.913011982746048e-19 4.2098632670478726e-19 4.429890182382336e-19 4.598022596969088e-19 4.747553740988352e-19 4.8969246673455365e-19 5.05230375603072e-19 5.213771115874944e-19 5.378683155453889e-19 5.541576452490625e-19 5.695625734580544e-19 5.833829489890752e-19 5.9496508378083845e-19 6.039340685040768e-19 6.103363662807936e-19 6.145468864402561e-19 6.171424125659521e-19 6.1868050212192e-19 6.195633014399808e-19 6.200503631327041e-19 6.202233982077504e-19 6.201128480209152e-19 6.19665840743712e-19 6.18616415057088e-19 6.165047462708736e-19 6.126018440226048e-19 6.058582826256577e-19 5.949330402484224e-19 5.78561999537088e-19 5.570816175820225e-19 5.3743893221101435e-19 5.316198267242688e-19 5.231202797509249e-19 5.088833382984961e-19 4.849211847578112e-19 4.437099977175936e-19 3.6994097956609925e-19 2.3039460024766083e-19 -6.342520566994753e-20 ] } }