{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0175982 -1.0908616 -1.6211359 ] [ -1.9958558 -5.0537361 4.8605543 ] [ -7.111723 1.1628922 5.3765813 ] [ -1.7956054 4.0997915 -2.392502 ] [ 2.4256848 -5.3133153 -10.5904692 ] [ 8.6759823 -7.5109634 7.5722257 ] [ 0.8191153 13.7061929 -3.2052541 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.630372058840459e-09 -1.747752966447854e-09 -2.59734605951856e-09 ] [ -3.197713527593377e-09 -8.096977893822287e-09 7.787466527748227e-09 ] [ -1.139423641808038e-08 1.863158710700855e-09 8.614232929661344e-09 ] [ -2.876877015764223e-09 6.568590145571811e-09 -3.833210801198268e-09 ] [ 3.886375508008963e-09 -8.5128696227347e-09 -1.696780229533667e-08 ] [ 1.390045611805758e-08 -1.203389005830919e-08 1.213204308391429e-08 ] [ 1.3123673942119e-09 2.195974200547669e-08 -5.135383225052698e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.679502 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.711044856715627e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2586709 1.8275209 1.8799402 ] [ 0.4579528 1.0270298 5.2332269 ] [ 2.6969821 4.1176388 4.8377374 ] [ 0.9625263 2.8261514 3.7377937 ] [ 4.4639984 2.8427717 2.4228764 ] [ 4.5227972 2.3870993 4.9066861 ] [ 3.7283053 5.225165 2.8270603 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2586709e-10 1.8275209e-10 1.8799402e-10 ] [ 4.579528e-11 1.0270298e-10 5.2332269e-10 ] [ 2.6969821e-10 4.1176388e-10 4.8377374e-10 ] [ 9.625263e-11 2.8261514e-10 3.7377937e-10 ] [ 4.4639984e-10 2.8427717e-10 2.4228764e-10 ] [ 4.522797200000001e-10 2.3870993e-10 4.9066861e-10 ] [ 3.7283053e-10 5.225165e-10 2.8270603e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.44e-05 4.2e-06 -3.19e-05 ] [ -1.41e-05 -4.3e-06 2.97e-05 ] [ 3.44e-05 -5.1e-05 -4.2e-06 ] [ 1.41e-05 -8.4e-06 1.01e-05 ] [ 8.64e-05 3.82e-05 4.61e-05 ] [ -6.49e-05 4.91e-05 -3.82e-05 ] [ -1.4e-06 -2.79e-05 -1.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.71584088896e-14 6.729141862799999e-15 -5.11094346246e-14 ] [ -2.25906905394e-14 -6.8893595262e-15 4.75846460298e-14 ] [ 5.51148762096e-14 -8.171100833399999e-14 -6.729141862799999e-15 ] [ 2.25906905394e-14 -1.34582837256e-14 1.61819840034e-14 ] [ 1.384280611776e-13 6.12031474188e-14 7.386034282739999e-14 ] [ -1.039812635466e-13 7.866687272939998e-14 -6.12031474188e-14 ] [ -2.2430472876e-15 -4.470072808859999e-14 -1.87454666178e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.528281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288993215438615e-18 } }