{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.026773 2.5022 1.482523 ] [ 1.327692 1.758529 3.84576 ] [ 1.586091 4.007002 3.406328 ] [ 4.160839 1.404559 1.89873 ] [ 3.792152 2.753975 4.110825 ] [ 3.943377 3.908391 2.363825 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026773e-10 2.5022e-10 1.482523e-10 ] [ 1.327692e-10 1.758529e-10 3.84576e-10 ] [ 1.586091e-10 4.007002e-10 3.406328e-10 ] [ 4.160839e-10 1.404559e-10 1.89873e-10 ] [ 3.792152e-10 2.753975e-10 4.110825e-10 ] [ 3.943377e-10 3.908391e-10 2.363825e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4929248 -0.3421147 -0.9206956 ] [ 0.0875094 -0.8620814 0.2650516 ] [ 0.1036714 1.2925624 -0.0014881 ] [ 0.1504001 -0.1011077 0.030986 ] [ 0.0056396 -1.9206072 3.1045457 ] [ 0.1457043 1.9333487 -2.4783996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.897525903725159e-10 -5.481281739720058e-10 -1.475116965193429e-09 ] [ 1.402055147802355e-10 -1.381206664306533e-09 4.246594768256333e-10 ] [ 1.660998933256051e-10 2.070913258205138e-09 -2.38419902941248e-12 ] [ 2.409675239859821e-10 -1.619923931228602e-10 4.96450447721088e-11 ] [ 9.03563527066368e-12 -3.07715195358015e-09 4.974030538745171e-09 ] [ 2.334440230100294e-10 3.097566086994073e-09 -3.970833896120072e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.890744 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.065324866151788e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6984564 1.9498873 1.5693054 ] [ 1.5311548 2.083864 4.0488499 ] [ 1.6440895 4.1690029 2.6947746 ] [ 4.0616252 1.9262571 1.7300298 ] [ 3.8943315 2.0602641 4.2095712 ] [ 4.0072665 4.1453806 2.8554601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6984564e-10 1.9498873e-10 1.5693054e-10 ] [ 1.5311548e-10 2.083864e-10 4.048849899999999e-10 ] [ 1.6440895e-10 4.1690029e-10 2.6947746e-10 ] [ 4.0616252e-10 1.9262571e-10 1.7300298e-10 ] [ 3.8943315e-10 2.0602641e-10 4.2095712e-10 ] [ 4.0072665e-10 4.1453806e-10 2.8554601e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.51e-05 1.03e-05 2.29e-05 ] [ 3.82e-05 1.98e-05 -1.34e-05 ] [ 1.76e-05 -2.74e-05 -2.02e-05 ] [ 3.6e-06 8.2e-06 -3.9e-06 ] [ -2.23e-05 -1.17e-05 -2e-06 ] [ -2.2e-05 7e-07 1.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.419286697408e-14 1.650241919424e-14 3.668984461632e-14 ] [ 6.120314691456e-14 3.172309709184e-14 -2.146916671872e-14 ] [ 2.819830852608e-14 -4.389963940992e-14 -3.236396774016e-14 ] [ 5.76783583488e-15 1.313784829056e-14 -6.24848882112e-15 ] [ -3.572853864384e-14 -1.874546646336e-14 -3.2043532416e-15 ] [ -3.52478856576e-14 1.12152363456e-15 2.659613190528e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.328753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.295719306181786e-18 } }