{ "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" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6837926 3.4510747 -3.0820507 ] [ 0.6183571 0.1933899 0.995656 ] [ 1.8079873 -5.6884502 3.9988584 ] [ 0.0 0.0 0.0 ] [ -1.7425517 2.0439856 -1.9124636 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.095556517196046e-09 5.529231200974374e-09 -4.937989575660274e-09 ] [ 9.907172889256876e-10 3.098447764788499e-10 1.595216765559245e-09 ] [ 2.896714982763316e-09 -9.113901919025086e-09 6.406877438369695e-09 ] [ 0.0 0.0 0.0 ] [ -2.791875594275295e-09 3.274825941571861e-09 -3.064104468051003e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4806445 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.780960484816107e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6437414 2.1478868 2.3598483 ] [ 2.2980244 1.7588139 4.4499977 ] [ 2.6599859 4.0852714 1.9573858 ] [ 4.413531 1.079857 2.965455 ] [ 3.3142652 3.6962019 4.0475372 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6437414e-10 2.1478868e-10 2.3598483e-10 ] [ 2.2980244e-10 1.7588139e-10 4.4499977e-10 ] [ 2.6599859e-10 4.0852714e-10 1.9573858e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.3142652e-10 3.6962019e-10 4.0475372e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 -1.36e-05 -1.4e-06 ] [ 2.16e-05 4.87e-05 -1.17e-05 ] [ 7.5e-06 5.2e-06 1.76e-05 ] [ 0.0 0.0 0.0 ] [ -2.34e-05 -4.03e-05 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.13240673856e-15 -2.178960204288e-14 -2.24304726912e-15 ] [ 3.460701500928e-14 7.802600143296e-14 -1.874546646336e-14 ] [ 1.2016324656e-14 8.33131842816e-15 2.819830852608e-14 ] [ 0.0 0.0 0.0 ] [ -3.749093292672001e-14 -6.456771781824e-14 -7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.549696 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.209594642534728e-18 } }