{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.0531059 -37.8025468 -28.4577251 ] [ -29.2031004 -28.1569175 58.0902936 ] [ 4.2201281 81.3390662 -30.4087742 ] [ 29.9773574 -12.4156654 1.5525848 ] [ -24.0326248 25.787277 31.8957702 ] [ -51.4628627 -7.2059917 80.8392708 ] [ 79.5542084 -21.5452218 -113.51142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.450467473810754e-08 -6.056635718865147e-08 -4.559430221201531e-08 ] [ -4.678852510123605e-08 -4.511235530396569e-08 9.307091106811975e-08 ] [ 6.761390634306814e-09 1.303195512970192e-07 -4.872022749182204e-08 ] [ 4.802902157534698e-08 -1.989208899944226e-08 2.487515088863563e-09 ] [ -3.850450990824892e-08 4.131577266388561e-08 5.110265773787351e-08 ] [ -8.245259613669015e-08 -1.154527152653794e-08 1.295187907853585e-07 ] [ 1.274598938348465e-07 -3.451925094230742e-08 -1.818653448161603e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 58.415672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.359222473780805e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8279613 1.0006949 1.4136691 ] [ 1.5191484 1.8854957 3.7947332 ] [ 2.7947994 3.9957685 2.2727789 ] [ 5.3647933 2.7868714 1.7028772 ] [ 4.433777 2.9203069 4.583243 ] [ 3.2972244 0.2091185 5.2089844 ] [ 5.0659802 0.2171087 3.0082242 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8279613e-10 1.0006949e-10 1.4136691e-10 ] [ 1.5191484e-10 1.8854957e-10 3.7947332e-10 ] [ 2.7947994e-10 3.9957685e-10 2.2727789e-10 ] [ 5.3647933e-10 2.7868714e-10 1.7028772e-10 ] [ 4.433777e-10 2.9203069e-10 4.583243000000001e-10 ] [ 3.2972244e-10 2.091185e-11 5.2089844e-10 ] [ 5.065980200000001e-10 2.171087e-11 3.0082242e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.15e-05 -9.4e-06 3.23e-05 ] [ -2.7e-06 -2e-07 -4.6e-06 ] [ -3.11e-05 8e-07 -5.6e-06 ] [ 3.83e-05 -1.99e-05 -3.1e-06 ] [ 1.09e-05 -8.8e-06 2.43e-05 ] [ 2.4e-06 1.28e-05 -4.02e-05 ] [ -6.2e-06 2.46e-05 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.8425031291e-14 -1.50604603596e-14 5.17503052782e-14 ] [ -4.3258769118e-15 -3.204353268e-16 -7.370012516399999e-15 ] [ -4.982769331739999e-14 1.2817413072e-15 -8.972189150399999e-15 ] [ 6.13633650822e-14 -3.18833150166e-14 -4.9667475654e-15 ] [ 1.74637253106e-14 -1.40991543792e-14 3.893289220619999e-14 ] [ 3.845223921599999e-15 2.05078609152e-14 -6.44075006868e-14 ] [ -9.9334951308e-15 3.94135451964e-14 -4.9667475654e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.780386 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.008949562670072e-18 } }