{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.0552568 -19.2763302 41.8713927 ] [ -23.1414108 2.9900207 -32.3495803 ] [ 2.3136856 -16.4532503 -18.6741787 ] [ 68.2354354 -32.3095261 59.8071196 ] [ -37.3524533 65.0490859 -50.6547533 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.611029736110022e-08 -3.088408558126099e-08 6.708536646427579e-08 ] [ -3.707662735608863e-08 4.790541261248051e-09 -5.182974124935225e-08 ] [ 3.70693297620162e-09 -2.636101296683059e-08 -2.991933252578133e-08 ] [ 1.093252193079887e-07 -5.17655673465474e-08 9.582156878050946e-08 ] [ -5.984522740678381e-08 1.042201246333909e-07 -8.115786146965166e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 220.36035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.530562009213053e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0418502 0.6251646 1.4892179 ] [ 0.1500855 0.4371111 2.4175334 ] [ 1.5645932 -0.1121405 0.4056221 ] [ 2.3045906 2.0361746 1.9331391 ] [ 2.3045906 2.0361746 1.9331391 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.18502e-12 6.251645999999999e-11 1.4892179e-10 ] [ 1.500855e-11 4.371111e-11 2.4175334e-10 ] [ 1.5645932e-10 -1.121405e-11 4.056221e-11 ] [ 2.3045906e-10 2.0361746e-10 1.9331391e-10 ] [ 2.3045906e-10 2.0361746e-10 1.9331391e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 499.4496915 -911.1047358 4487.9829422 ] [ -539.718278 901.3948603 -4473.0339198 ] [ 11.6174187 -18.6808428 -23.063757 ] [ -1.103965237842873e+111 14.1953591 4.0573673 ] [ 1.103965237842873e+111 14.1953591 4.0573673 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.002066189870724e-07 -1.459750706798921e-06 7.190541344542038e-06 ] [ -8.647240068300351e-07 1.444193771281942e-06 -7.166590370348943e-06 ] [ 1.861315663518473e-08 -2.993000959100001e-08 -3.695221225321235e-08 ] [ -1.768747294247763e+102 2.274347247388053e-08 6.50061903005842e-09 ] [ 1.768747294247763e+102 2.274347247388053e-08 6.50061903005842e-09 ] ] } "relaxed-potential-energy" { "source-value" -8.1709842e+94 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.309135985416619e+76 } }