{ "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" [ [ -1.7752545 -3.2314186 -6.4847118 ] [ -0.7240049 -1.6384438 5.4393073 ] [ -0.431528 2.9521608 -1.6814074 ] [ -0.356361 0.2983743 0.2694717 ] [ 3.2871484 1.6193274 2.4573402 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.844271255869993e-09 -5.177303332938267e-09 -1.038965363858589e-08 ] [ -1.159983724124642e-09 -2.625076350854711e-09 8.714730989406774e-09 ] [ -6.913840728205825e-10 4.729883014602225e-09 -2.693911626320114e-09 ] [ -5.709532627649088e-10 4.780483277075654e-10 4.317412577072314e-10 ] [ 5.266592315580126e-09 2.59444850170085e-09 3.937093017791996e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1899759 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.312178791189544e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8912119 1.6424014 2.1525889 ] [ 1.7573015 2.0778486 4.6649008 ] [ 2.4593789 4.1314288 2.1181565 ] [ 4.3810484 1.4515411 2.6850772 ] [ 3.8406072 3.4648111 4.1595006 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8912119e-10 1.6424014e-10 2.1525889e-10 ] [ 1.7573015e-10 2.0778486e-10 4.6649008e-10 ] [ 2.4593789e-10 4.1314288e-10 2.1181565e-10 ] [ 4.3810484e-10 1.4515411e-10 2.6850772e-10 ] [ 3.8406072e-10 3.4648111e-10 4.159500600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 2e-07 6e-07 ] [ -9e-07 4e-07 -2e-07 ] [ 1e-07 -1e-06 3e-07 ] [ -2e-07 4e-07 -9e-07 ] [ 3e-07 1e-07 3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-16 3.2043532416e-16 9.6130597248e-16 ] [ -1.44195895872e-15 6.408706483200001e-16 -3.2043532416e-16 ] [ 1.6021766208e-16 -1.6021766208e-15 4.8065298624e-16 ] [ -3.2043532416e-16 6.408706483200001e-16 -1.44195895872e-15 ] [ 4.8065298624e-16 1.6021766208e-16 4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.212408 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.796425796047089e-18 } }