{ "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" [ [ 0.9312002 0.7437347 1.637203 ] [ 0.2868751 2.587784 1.486301 ] [ 2.468756 0.0419283 1.950884 ] [ 2.101698 2.93019 0.1307908 ] [ 2.374683 2.856414 2.678274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.312002000000001e-11 7.437347e-11 1.637203e-10 ] [ 2.868751e-11 2.587784e-10 1.486301e-10 ] [ 2.468756e-10 4.19283e-12 1.950884e-10 ] [ 2.101698e-10 2.93019e-10 1.307908e-11 ] [ 2.374683e-10 2.856414e-10 2.678274e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -317.2498325 113.1459009 -64.7990262 ] [ -9.4387612 43.4098993 -2.9608193 ] [ 333.9519992 -149.4773804 68.2772441 ] [ -2.2575382 -2.6758671 6.494503 ] [ -5.0058672 -4.4025527 -7.0119016 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.08290264584216e-07 1.812797171613337e-07 -1.038194848282467e-07 ] [ -1.512256252395415e-08 6.955032576974227e-08 -4.743755460873421e-09 ] [ 5.350500855876603e-07 -2.394891642153082e-07 1.093922042296747e-07 ] [ -3.616974924602915e-09 -4.287211707987896e-09 1.040534087031546e-08 ] [ -8.020283394669558e-09 -7.053667007779917e-09 -1.123430481087011e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 27.138695 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.348098264802186e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.734221 0.9152618 1.5762823 ] [ 0.3453312 3.0936317 1.4700683 ] [ 2.9199504 0.5703863 1.683309 ] [ 2.1289844 2.2446959 0.4672208 ] [ 2.0347254 2.3360752 2.6865725 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.34221e-11 9.152618000000001e-11 1.5762823e-10 ] [ 3.453312e-11 3.0936317e-10 1.4700683e-10 ] [ 2.9199504e-10 5.703863e-11 1.683309e-10 ] [ 2.1289844e-10 2.2446959e-10 4.672208e-11 ] [ 2.0347254e-10 2.3360752e-10 2.6865725e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.69e-05 0.0001233 -5.62e-05 ] [ 0.0001018 -2.7e-05 7.67e-05 ] [ 7.67e-05 -8.9e-06 4.73e-05 ] [ -0.0001129 -6.69e-05 1.09e-05 ] [ -0.0001226 -2.04e-05 -7.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.116384972352e-14 1.9754837734464e-13 -9.004232608896e-14 ] [ 1.6310157999744e-13 -4.32587687616e-14 1.2288694681536e-13 ] [ 1.2288694681536e-13 -1.425937192512e-14 7.578295416384e-14 ] [ -1.8088574048832e-13 -1.0718561593152e-13 1.746372516672e-14 ] [ -1.9642685371008e-13 -3.268440306432e-14 -1.2609130005696e-13 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }