{ "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" [ [ -7.6081787 -14.4967098 -15.18655 ] [ -27.2271197 2.46403 11.1017145 ] [ -5.3593169 22.0703013 -7.6186476 ] [ 18.7282227 4.534923 -12.0882522 ] [ 6.4988155 11.9787193 19.1044569 ] [ -3.3199958 -11.2321426 10.6093471 ] [ 18.287573 -15.3191213 -5.9220687 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.218964604000854e-08 -2.322628952008224e-08 -2.433153536061024e-08 ] [ -4.362265463506311e-08 3.947811258949825e-09 1.778690742269636e-08 ] [ -8.586572240638332e-09 3.536052075687185e-08 -1.220641906683403e-08 ] [ 3.000592055907586e-08 7.265747607728198e-09 -1.936751506117416e-08 ] [ 1.041225025699266e-08 1.919202400958574e-08 3.060871419826124e-08 ] [ -5.319219651914193e-09 -1.799587627521173e-08 1.699804788557228e-08 ] [ 2.929992191177332e-08 -2.454393799805931e-08 -9.488200017911448e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 9.4807972 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.51899116203861e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.35398 0.5346147 2.0763373 ] [ 1.9270945 2.5788879 3.1843939 ] [ 3.5216747 3.9997794 2.1685206 ] [ 5.3689239 2.5795152 1.7479284 ] [ 2.8088023 2.1353049 5.3336829 ] [ 4.6560663 0.71506 4.9131021 ] [ 4.6671423 0.4722024 2.5605448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.35398e-10 5.346147e-11 2.0763373e-10 ] [ 1.9270945e-10 2.5788879e-10 3.1843939e-10 ] [ 3.5216747e-10 3.9997794e-10 2.1685206e-10 ] [ 5.368923900000001e-10 2.5795152e-10 1.7479284e-10 ] [ 2.8088023e-10 2.1353049e-10 5.3336829e-10 ] [ 4.6560663e-10 7.150600000000001e-11 4.9131021e-10 ] [ 4.667142300000001e-10 4.722024e-11 2.5605448e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.5e-06 -9.1e-06 -2.3e-06 ] [ -2e-07 -4.3e-06 2.9e-06 ] [ 1.3e-05 2.1e-06 -9.1e-06 ] [ -7.3e-06 2.27e-05 -1e-07 ] [ 1e-06 7.6e-06 -6.8e-06 ] [ 5.5e-06 -1.86e-05 -1.12e-05 ] [ -3.5e-06 -4e-07 2.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.36185012768e-14 -1.457980724928e-14 -3.68500622784e-15 ] [ -3.2043532416e-16 -6.889359469440001e-15 4.646312200320001e-15 ] [ 2.08282960704e-14 3.36457090368e-15 -1.457980724928e-14 ] [ -1.169588933184e-14 3.636940929216e-14 -1.6021766208e-16 ] [ 1.6021766208e-15 1.217654231808e-14 -1.089480102144e-14 ] [ 8.8119714144e-15 -2.980048514688e-14 -1.794437815296e-14 ] [ -5.6076181728e-15 -6.408706483200001e-16 4.261789811328e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }