{ "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" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.9018836 -15.4126036 -22.5557465 ] [ 1.917478 -1.0574442 1.5024137 ] [ 38.2744656 -19.4228087 -0.6542181 ] [ -29.1136873 28.2607004 24.096997 ] [ 5.8236274 7.6321561 -2.3894461 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.707980275140294e-08 -2.469371315357792e-08 -3.613828970699143e-08 ] [ 3.072138422498342e-09 -1.694212375040559e-09 2.407132104909625e-09 ] [ 6.132245395793385e-08 -3.111877000941084e-08 -1.048172944724197e-09 ] [ -4.664526913734187e-08 4.527863346831321e-08 3.860764522488774e-08 ] [ 9.330479668530291e-09 1.222806206971611e-08 -3.828314678081739e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.9449298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.71829767545722e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1504742 0.2445169 1.3106545 ] [ 0.9437422 2.6328319 1.1740959 ] [ 3.2006941 0.4920297 2.5357138 ] [ 1.1394077 1.5708517 3.4143257 ] [ 2.9939624 2.8803448 2.3991552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1504742e-10 2.445169e-11 1.3106545e-10 ] [ 9.437422e-11 2.6328319e-10 1.1740959e-10 ] [ 3.2006941e-10 4.920297e-11 2.5357138e-10 ] [ 1.1394077e-10 1.5708517e-10 3.4143257e-10 ] [ 2.9939624e-10 2.8803448e-10 2.3991552e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-07 1.7e-06 6e-07 ] [ 1.9e-06 -3e-07 -4e-07 ] [ 3e-07 1.5e-06 -8e-07 ] [ -2.3e-06 -1.6e-06 2.5e-06 ] [ -3e-07 -1.4e-06 -1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883104e-16 2.72370025536e-15 9.6130597248e-16 ] [ 3.04413557952e-15 -4.8065298624e-16 -6.408706483200001e-16 ] [ 4.8065298624e-16 2.4032649312e-15 -1.28174129664e-15 ] [ -3.68500622784e-15 -2.56348259328e-15 4.005441552e-15 ] [ -4.8065298624e-16 -2.24304726912e-15 -3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.9991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.242903073224128e-18 } }