{ "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" [ [ 1.497272 0.041495 0.0459008 ] [ 0.5144624 2.623314 0.1336692 ] [ 0.1881884 1.665255 2.217108 ] [ 2.303156 0.3070008 2.474488 ] [ 2.009269 2.269424 0.9602388 ] [ 2.927445 2.103094 2.701001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.497272e-10 4.1495e-12 4.59008e-12 ] [ 5.144624e-11 2.623314e-10 1.336692e-11 ] [ 1.881884e-11 1.665255e-10 2.217108e-10 ] [ 2.303156e-10 3.070008e-11 2.474488e-10 ] [ 2.009269e-10 2.269424e-10 9.602388e-11 ] [ 2.927445e-10 2.103094e-10 2.701001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.4801015 -19.6833778 -14.3424634 ] [ -21.8715685 15.0752892 -16.1159013 ] [ -36.4882578 0.527412 19.8088237 ] [ 5.4468892 -30.7135042 14.4299165 ] [ 26.3264065 21.287943 -20.3897282 ] [ 22.106429 13.5062378 16.6093527 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.177913882111011e-09 -3.153624772953374e-08 -2.297915954415968e-08 ] [ -3.504211571092572e-08 2.415327590803874e-08 -2.582052028598033e-08 ] [ -5.846063358088324e-08 8.450071759293697e-10 3.173723421768895e-08 ] [ 8.726878532328017e-09 -4.920845837208261e-08 2.311927485639616e-08 ] [ 4.217955300397715e-08 3.410704457952301e-08 -3.266794582650647e-08 ] [ 3.541840371317513e-08 2.163937843812523e-08 2.661111658256136e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 25.210431 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.039156314849157e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2171836 -0.0652303 0.1754693 ] [ 0.2033861 2.9544614 0.6388452 ] [ -0.36129 1.3697087 2.3390559 ] [ 1.6884165 0.1730361 2.605622 ] [ 2.4884507 2.4183097 0.1968081 ] [ 3.203646 2.1592972 2.5766054 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2171836e-10 -6.523030000000001e-12 1.754693e-11 ] [ 2.033861e-11 2.9544614e-10 6.388452e-11 ] [ -3.6129e-11 1.3697087e-10 2.3390559e-10 ] [ 1.6884165e-10 1.730361e-11 2.605622e-10 ] [ 2.4884507e-10 2.4183097e-10 1.968081e-11 ] [ 3.203646e-10 2.1592972e-10 2.5766054e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.62e-05 -2e-06 6.4e-06 ] [ 7.3e-06 1.14e-05 1.86e-05 ] [ -1.5e-05 -1.05e-05 -1.4e-06 ] [ -8e-06 1.75e-05 -1.95e-05 ] [ -2e-06 -2.56e-05 2.45e-05 ] [ 1.5e-06 9.2e-06 -2.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.595526125696e-14 -3.2043532416e-15 1.025393037312e-14 ] [ 1.169588933184e-14 1.826481347712e-14 2.980048514688e-14 ] [ -2.4032649312e-14 -1.68228545184e-14 -2.24304726912e-15 ] [ -1.28174129664e-14 2.8038090864e-14 -3.12424441056e-14 ] [ -3.2043532416e-15 -4.101572149248001e-14 3.92533272096e-14 ] [ 2.4032649312e-15 1.474002491136e-14 -4.56620336928e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }