{ "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" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.1302192 0.5083071 -4.790807 ] [ -1.8920631 -1.2979026 8.7589433 ] [ 7.0740209 -2.5322268 -1.8219164 ] [ 1.9161564 3.6589214 -0.6694344 ] [ -2.9678951 -0.3370991 -1.4767856 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.617340641019279e-09 8.143977518066477e-10 -7.675718970164985e-09 ] [ -3.031419263898373e-09 -2.079469201795534e-09 1.40333741781728e-08 ] [ 1.133383090103057e-08 -4.057074577523198e-09 -2.919031861132101e-09 ] [ 3.070020985876293e-09 5.862238324424805e-09 -1.072552144839275e-09 ] [ -4.755092142206877e-09 -5.400922969127213e-10 -2.3660713622541e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.597859 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.018399516193487e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9715019 1.9014545 0.0990057 ] [ 1.0848992 1.5283585 2.7087739 ] [ 3.119972 1.1378354 1.2305025 ] [ 2.1344954 3.5769261 1.6220159 ] [ 4.4680975 3.0970185 1.4520098 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.715019e-11 1.9014545e-10 9.90057e-12 ] [ 1.0848992e-10 1.5283585e-10 2.7087739e-10 ] [ 3.119972e-10 1.1378354e-10 1.2305025e-10 ] [ 2.1344954e-10 3.5769261e-10 1.6220159e-10 ] [ 4.4680975e-10 3.0970185e-10 1.4520098e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.96e-05 -1.9e-06 -4.49e-05 ] [ -2.02e-05 -8.5e-06 4.72e-05 ] [ 3.68e-05 -3.29e-05 -1.15e-05 ] [ 1e-05 3.94e-05 7.8e-06 ] [ -7.1e-06 3.9e-06 1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.140266176767999e-14 -3.04413557952e-15 -7.193773027392e-14 ] [ -3.236396774016e-14 -1.36185012768e-14 7.562273650176e-14 ] [ 5.896009964544001e-14 -5.271161082432e-14 -1.84250311392e-14 ] [ 1.6021766208e-14 6.312575885952001e-14 1.249697764224e-14 ] [ -1.137545400768e-14 6.24848882112e-15 2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.499658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.483318967799569e-18 } }