{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 5.517305 2.823831 2.520754 ] [ 3.206819 2.056835 2.580452 ] [ 4.931014 5.152147 1.608787 ] [ 3.498861 3.411494 1.086096 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.517305000000001e-10 2.823831e-10 2.520754e-10 ] [ 3.206819e-10 2.056835e-10 2.580452e-10 ] [ 4.931014e-10 5.152147000000001e-10 1.608787e-10 ] [ 3.498861e-10 3.411494e-10 1.086096e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1266414 0.3072426 0.3863625 ] [ -1.7613036 -5.5824637 5.6859016 ] [ 1.1992907 1.0899419 0.3434409 ] [ -0.5646285 4.1852792 -6.415705 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.805078525977047e-09 4.922569146894083e-10 6.19020969753825e-10 ] [ -2.821919473300082e-09 -8.944092900293185e-09 9.109818686743213e-09 ] [ 1.921475536913504e-09 1.746279444597564e-09 5.502529851399305e-10 ] [ -9.04634589590469e-10 6.705556541006211e-09 -1.027909264163697e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.9933759 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.60244682575872e-19 } "relaxed-configuration-positions" { "source-value" [ [ 5.300432 3.0661517 2.7656268 ] [ 3.3018141 1.5959435 2.534223 ] [ 5.2752073 5.1261856 1.3637862 ] [ 3.2765456 3.6560262 1.1324529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.300432e-10 3.0661517e-10 2.7656268e-10 ] [ 3.3018141e-10 1.5959435e-10 2.534223e-10 ] [ 5.2752073e-10 5.1261856e-10 1.3637862e-10 ] [ 3.2765456e-10 3.6560262e-10 1.1324529e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.7e-06 -3.2e-06 -2.2e-06 ] [ -7.5e-06 -1.3e-06 2.9e-06 ] [ 3.9e-06 1.28e-05 4e-07 ] [ -1e-07 -8.2e-06 -1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.9280535458e-15 -5.1269652288e-15 -3.5247885948e-15 ] [ -1.2016324755e-14 -2.0828296242e-15 4.6463122386e-15 ] [ 6.248488872599999e-15 2.05078609152e-14 6.408706536e-16 ] [ -1.602176634e-16 -1.31378483988e-14 -1.7623942974e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.6024309 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.218043714957959e-18 } }