{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.3065 4.017949 3.839116 3.709185 3.607074 3.522947 3.451407 3.389173 3.334101 3.28471 3.239938 3.198995 3.161276 3.12631 3.093724 3.063213 3.034529 3.007465 2.981849 2.957533 2.934391 2.912316 2.891213 2.871 2.85724 2.842758 2.827474 2.811294 2.794107 2.775779 2.756147 2.735012 2.712124 2.687166 2.659726 2.629255 2.595 2.555886 2.510302 2.455676 2.38751 2.2968 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3065e-10 4.017949e-10 3.839116e-10 3.7091850000000004e-10 3.607074e-10 3.522947e-10 3.4514070000000003e-10 3.389173e-10 3.334101e-10 3.28471e-10 3.239938e-10 3.198995e-10 3.1612760000000003e-10 3.1263100000000004e-10 3.0937240000000003e-10 3.0632130000000003e-10 3.034529e-10 3.007465e-10 2.981849e-10 2.957533e-10 2.9343910000000005e-10 2.9123160000000003e-10 2.8912130000000003e-10 2.871e-10 2.85724e-10 2.842758e-10 2.8274740000000003e-10 2.811294e-10 2.794107e-10 2.775779e-10 2.756147e-10 2.735012e-10 2.7121240000000003e-10 2.687166e-10 2.659726e-10 2.629255e-10 2.5950000000000003e-10 2.555886e-10 2.5103019999999997e-10 2.455676e-10 2.38751e-10 2.2968000000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.955599 1.36135 1.67302 1.92761 2.14211 2.32614 2.48583 2.62542 2.74798 2.85583 2.95077 3.03426 3.10749 3.17142 3.22689 3.27459 3.31514 3.34906 3.3768 3.39878 3.41536 3.42686 3.43357 3.43576 3.4347 3.43124 3.42483 3.41478 3.40024 3.38007 3.35278 3.31638 3.26818 3.2044 3.11964 3.00593 2.85105 2.63529 2.32492 1.85725 1.10159 -0.267263 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5310383766598591e-19 2.1811231427260804e-19 2.680473530130816e-19 3.088371676020288e-19 3.4320385611818886e-19 3.7268871247077126e-19 3.9827387092832643e-19 4.206386543780736e-19 4.402749310425984e-19 4.575544058979265e-19 4.727654707358016e-19 4.861420433428609e-19 4.978747827369792e-19 5.081174978737536e-19 5.170047715893312e-19 5.246471540705472e-19 5.311439802678912e-19 5.365785633656448e-19 5.41023001311744e-19 5.445445855242624e-19 5.472009943615488e-19 5.490434974754689e-19 5.501185579880257e-19 5.5046943466798085e-19 5.50299603946176e-19 5.4974525083537925e-19 5.487182556214465e-19 5.471080681175424e-19 5.447785033108993e-19 5.415469130667456e-19 5.371745730685825e-19 5.313426501688705e-19 5.236201588566144e-19 5.13401476369152e-19 4.9982142733125125e-19 4.816030769761344e-19 4.56788565473184e-19 4.222200027028032e-19 3.7249324692303366e-19 2.9756425289808005e-19 1.7649417437070723e-19 -4.282025302048704e-20 ] } }