{ "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" [ [ 0.8070865 2.620947 2.881943 ] [ 2.981493 2.883992 2.450576 ] [ 2.14387 2.287305 4.61196 ] [ 1.117537 4.809867 2.516966 ] [ 2.97789 5.94727 2.412215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.070865000000001e-11 2.620947e-10 2.881943e-10 ] [ 2.981493e-10 2.883992e-10 2.450576e-10 ] [ 2.14387e-10 2.287305e-10 4.61196e-10 ] [ 1.117537e-10 4.809867e-10 2.516966e-10 ] [ 2.97789e-10 5.947269999999999e-10 2.412215e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -116.8818941 -6.6074812 -44.1856909 ] [ 89.195487 11.2586781 -40.0206562 ] [ 37.9519977 -20.0177916 87.0533991 ] [ -206.2718467 -96.8570194 6.8661794 ] [ 196.0062561 112.2236142 -9.7132314 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.872654381218415e-07 -1.058635190101553e-08 -7.079328093387532e-08 ] [ 1.429069239522703e-07 1.803839083293296e-08 -6.412015971271457e-08 ] [ 6.080580342759537e-08 -3.207203770156663e-08 1.394749207991918e-07 ] [ -3.304839303119817e-07 -1.551820520430521e-07 1.100083210889857e-08 ] [ 3.140366410539574e-07 1.798020509729189e-07 -1.556231226150045e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 119.05266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.907433884960513e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4396388 2.5650379 2.7090952 ] [ 3.7434792 2.9811997 2.4435971 ] [ 2.3984846 1.9249125 5.0661361 ] [ 0.3209377 5.3624975 2.4401675 ] [ 3.1253363 5.7157334 2.2146639 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.396388e-11 2.5650379e-10 2.7090952e-10 ] [ 3.7434792e-10 2.9811997e-10 2.4435971e-10 ] [ 2.3984846e-10 1.9249125e-10 5.0661361e-10 ] [ 3.209377e-11 5.3624975e-10 2.4401675e-10 ] [ 3.1253363e-10 5.7157334e-10 2.2146639e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-06 -6.5e-06 2.51e-05 ] [ 1.55e-05 -1.67e-05 -2.24e-05 ] [ -3.7e-06 -3.56e-05 2.59e-05 ] [ -4.3e-05 1.22e-05 -2.9e-05 ] [ 3.5e-05 4.66e-05 4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.08827115904e-15 -1.04141480352e-14 4.021463318208e-14 ] [ 2.48337376224e-14 -2.675634956736e-14 -3.588875630592e-14 ] [ -5.928053496960001e-15 -5.703748770048e-14 4.149637447872e-14 ] [ -6.889359469439999e-14 1.954655477376e-14 -4.64631220032e-14 ] [ 5.6076181728e-14 7.466143052928e-14 6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.673165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.870247205374083e-18 } }