{ "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" [ [ 1.222424 2.904477 0.9358623 ] [ 1.494107 1.000567 2.599919 ] [ 2.753047 4.765039 1.902757 ] [ 2.502796 3.18307 3.733295 ] [ 3.53967 2.110225 1.931082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.222424e-10 2.904477e-10 9.358623e-11 ] [ 1.494107e-10 1.000567e-10 2.599919e-10 ] [ 2.753047e-10 4.765039e-10 1.902757e-10 ] [ 2.502796e-10 3.18307e-10 3.733295e-10 ] [ 3.53967e-10 2.110225e-10 1.931082e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5669275 0.9368281 -3.239795 ] [ -2.3112935 -2.5294536 0.574996 ] [ -0.5048529 2.2937118 -0.7989009 ] [ 0.0926056 1.8459238 5.5644873 ] [ 5.2904683 -2.54701 -2.1007874 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.112671227788591e-09 1.500964079528485e-09 -5.190723805184736e-09 ] [ -3.703100409507005e-09 -4.052631421318395e-09 9.212451482535168e-10 ] [ -8.088635133230804e-10 3.674931420813085e-09 -1.279980344316079e-09 ] [ 1.483705272751565e-10 2.957495956138295e-09 8.915291458798515e-09 ] [ 8.476264623343521e-09 -4.080759874943808e-09 -3.365832457551218e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5894505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.376181677661887e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9035519 3.0451971 0.992369 ] [ 1.721376 1.2950951 2.5744467 ] [ 2.8834518 4.2902513 1.8667191 ] [ 2.0804449 3.3027729 4.0149119 ] [ 3.9232194 2.0300616 1.6544686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.035519e-11 3.045197100000001e-10 9.923689999999999e-11 ] [ 1.721376e-10 1.2950951e-10 2.5744467e-10 ] [ 2.8834518e-10 4.2902513e-10 1.8667191e-10 ] [ 2.0804449e-10 3.3027729e-10 4.014911900000001e-10 ] [ 3.9232194e-10 2.0300616e-10 1.6544686e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 -1.19e-05 -1.54e-05 ] [ -1.43e-05 -4.6e-05 -3.6e-06 ] [ 7.5e-06 5.74e-05 5.8e-06 ] [ 2.9e-05 7e-06 -4.7e-06 ] [ -2.24e-05 -6.5e-06 1.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-16 -1.906590178752e-14 -2.467351996032e-14 ] [ -2.291112567744e-14 -7.37001245568e-14 -5.76783583488e-15 ] [ 1.2016324656e-14 9.196493803392e-14 9.292624400640001e-15 ] [ 4.64631220032e-14 1.12152363456e-14 -7.53023011776e-15 ] [ -3.588875630592e-14 -1.04141480352e-14 2.851874385024e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.731874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.719435762017138e-18 } }