{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2224843 -2.3547482 -1.8427975 ] [ -2.8768866 3.3444696 0.7756463 ] [ -0.443784 -2.0291402 2.2566706 ] [ -0.1665147 -0.2752936 -1.1441022 ] [ 0.0927076 0.3821991 -0.286974 ] [ 1.2029218 -0.4437418 -0.8015468 ] [ 0.9690716 1.3762551 1.0431036 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.958635764755053e-09 -3.772722513910883e-09 -2.952487071368688e-09 ] [ -4.609280451212802e-09 5.358431002096328e-09 1.242722367870023e-09 ] [ -7.110203494851072e-10 -3.251040988765436e-09 3.615584876166708e-09 ] [ -2.667859593595257e-10 -4.41068969775867e-10 -1.833053796645846e-09 ] [ 1.485339492904781e-10 6.123504625108013e-10 -4.597830335774592e-10 ] [ 1.927293184610653e-09 -7.109527376317094e-10 -1.284219543437053e-09 ] [ 1.552623861401249e-09 2.205003745476766e-09 1.671236200992315e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.521895 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.287970038351242e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7053117 0.9639538 2.2830642 ] [ 1.3466427 3.612001 3.1574454 ] [ 2.0675403 1.7652047 4.3680537 ] [ 3.0382791 3.2249023 1.4558396 ] [ 4.1873544 2.7689202 4.6221538 ] [ 4.811487 1.9612088 2.5355273 ] [ 3.4528027 4.6092921 3.4099619 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7053117e-10 9.639538e-11 2.2830642e-10 ] [ 1.3466427e-10 3.612001e-10 3.1574454e-10 ] [ 2.0675403e-10 1.7652047e-10 4.3680537e-10 ] [ 3.0382791e-10 3.2249023e-10 1.4558396e-10 ] [ 4.1873544e-10 2.7689202e-10 4.622153800000001e-10 ] [ 4.811486999999999e-10 1.9612088e-10 2.5355273e-10 ] [ 3.4528027e-10 4.6092921e-10 3.4099619e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.94e-05 -2.45e-05 -3.93e-05 ] [ -3.54e-05 4.93e-05 7.4e-06 ] [ 3.6e-06 -3.72e-05 -2.9e-06 ] [ -6e-06 -2e-05 -1.69e-05 ] [ 3.84e-05 2.39e-05 3.94e-05 ] [ 3.81e-05 -1.7e-05 1.23e-05 ] [ -9.4e-06 2.55e-05 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.710399265152e-14 -3.92533272096e-14 -6.296554119743999e-14 ] [ -5.671705237632e-14 7.898730740544e-14 1.185610699392e-14 ] [ 5.76783583488e-15 -5.960097029376001e-14 -4.646312200320001e-15 ] [ -9.6130597248e-15 -3.2043532416e-14 -2.707678489152e-14 ] [ 6.152358223872e-14 3.829202123712e-14 6.312575885952001e-14 ] [ 6.104292925248e-14 -2.72370025536e-14 1.970677243584e-14 ] [ -1.506046023552e-14 4.08555038304e-14 0.0 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }