{ "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" [ [ 2.114 2.095272 1.915779 ] [ 2.14246 0.9228837 3.956719 ] [ 3.791491 3.03012 0.940196 ] [ 4.524648 0.3016751 5.057567 ] [ 3.666195 2.4276 3.537085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.114e-10 2.095272e-10 1.915779e-10 ] [ 2.14246e-10 9.228837e-11 3.956719e-10 ] [ 3.791491000000001e-10 3.03012e-10 9.40196e-11 ] [ 4.524648e-10 3.016751e-11 5.057567e-10 ] [ 3.666195e-10 2.4276e-10 3.537085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.8539626 -0.5167564 -9.7453957 ] [ -6.1777969 -7.9452872 6.3103737 ] [ 4.6789366 3.1083944 -7.2284737 ] [ 1.9666773 -2.0467471 1.4433885 ] [ 10.3861456 7.4003963 9.2201073 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.738996512075758e-08 -8.279350227287732e-10 -1.561384515098485e-08 ] [ -9.897921761230715e-09 -1.272975339738149e-08 1.011033321065119e-08 ] [ 7.496482830725442e-09 4.980196835905643e-09 -1.158129156620767e-08 ] [ 3.150964390718068e-09 -3.2792503523102e-09 2.312563309431581e-09 ] [ 1.664043966054479e-08 1.185674193651482e-08 1.477224035732741e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.92528751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.482474016040246e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7395407 1.7028867 1.7678483 ] [ 1.9166019 0.4062216 3.7221864 ] [ 3.6467892 3.0722767 1.6288857 ] [ 3.9332833 0.9742151 4.7910717 ] [ 5.0025789 2.6219507 3.4973538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7395407e-10 1.7028867e-10 1.7678483e-10 ] [ 1.9166019e-10 4.062216e-11 3.7221864e-10 ] [ 3.6467892e-10 3.0722767e-10 1.6288857e-10 ] [ 3.9332833e-10 9.742151e-11 4.7910717e-10 ] [ 5.0025789e-10 2.6219507e-10 3.4973538e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.25e-05 1.52e-05 -8e-07 ] [ 6.3e-06 -9.9e-06 1.72e-05 ] [ -1.9e-05 -2.54e-05 2.06e-05 ] [ -2.55e-05 1.54e-05 -4.07e-05 ] [ 1.57e-05 4.7e-06 3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.604897396800001e-14 2.435308463616e-14 -1.28174129664e-15 ] [ 1.009371271104e-14 -1.586154854592e-14 2.755743787776e-14 ] [ -3.04413557952e-14 -4.069528616832e-14 3.300483838848e-14 ] [ -4.08555038304e-14 2.467351996032e-14 -6.520858846656e-14 ] [ 2.515417294656e-14 7.53023011776e-15 5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.83321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.735671579021677e-18 } }