{ "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" [ [ 0.5633223 0.534565 2.657113 ] [ 0.571871 1.718695 0.3060373 ] [ 0.67165 2.82724 1.843012 ] [ 2.670346 0.5025148 0.7068498 ] [ 2.297338 0.3834159 2.609917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.633223000000001e-11 5.34565e-11 2.657113e-10 ] [ 5.71871e-11 1.718695e-10 3.060373e-11 ] [ 6.7165e-11 2.82724e-10 1.843012e-10 ] [ 2.670346e-10 5.025148000000001e-11 7.068498e-11 ] [ 2.297338e-10 3.834159e-11 2.609917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -33.5235857 -6.5161548 11.7161721 ] [ -5.0701602 -2.723845 -22.2047098 ] [ 2.3950642 12.7996051 11.182644 ] [ 7.3519976 -0.8022977 -14.8716638 ] [ 28.8466842 -2.7573075 14.1775575 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.37107052539252e-08 -1.04400308780737e-08 1.877137702388924e-08 ] [ -8.123292136150653e-09 -4.364080777682976e-09 -3.557586691320864e-08 ] [ 3.837315866555056e-09 2.050722804669245e-08 1.791657077552939e-08 ] [ 1.177919867089771e-08 -1.285422617861612e-09 -2.382703205275769e-08 ] [ 4.621748301284075e-08 -4.417693612856496e-09 2.27149511665477e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.500133 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.483395071189057e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2516948 0.3053466 2.7951897 ] [ 0.5688116 1.731871 0.0829929 ] [ 0.7099223 3.0635038 1.8639226 ] [ 2.6300326 0.5183168 0.5051768 ] [ 2.614066 0.3473924 2.8756471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.516948e-11 3.053466000000001e-11 2.7951897e-10 ] [ 5.688116e-11 1.731871e-10 8.29929e-12 ] [ 7.099223e-11 3.0635038e-10 1.8639226e-10 ] [ 2.6300326e-10 5.183168e-11 5.051768e-11 ] [ 2.614066e-10 3.473924e-11 2.8756471e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2239764 0.0404732 -0.0746707 ] [ 2.2651217 1.1470959 2.1200605 ] [ -1.2198111 -0.8934256 -2.7319026 ] [ -2.6636782 0.9130377 0.0860438 ] [ -0.6056088 -1.2071813 0.6004691 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.563202993290949e-09 6.484521480896257e-11 -1.196356497987706e-10 ] [ 3.629125031006751e-09 1.837850232795535e-09 3.396711367781559e-09 ] [ -1.954352826212331e-09 -1.431425608744213e-09 -4.376990476022734e-09 ] [ -4.267682937374627e-09 1.462847656849004e-09 1.37857364724791e-10 ] [ -9.70292260710743e-10 -1.934117655926951e-09 9.620575535328172e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.021776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246536168929454e-18 } }