{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5594764 -3.2165134 -0.3944451 ] [ -1.9539604 2.0376564 0.5498253 ] [ -2.2955993 2.7261165 -0.0532852 ] [ 1.9156375 -1.8890682 2.2066602 ] [ -2.4665639 2.156207 -1.3848125 ] [ 3.8226607 -0.2436474 -1.3845279 ] [ 0.418349 -1.5707509 0.4605852 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.963800079693491e-10 -5.153422569969919e-09 -6.319707174091181e-10 ] [ -3.130589670849016e-09 3.264685445303493e-09 8.809172411843462e-10 ] [ -3.677955529184846e-09 4.367720121877123e-09 -8.537230167465215e-11 ] [ 3.06918961642776e-09 -3.026620905136739e-09 3.535459382489852e-09 ] [ -3.951871014289269e-09 3.454624445005306e-09 -2.2187142116916e-09 ] [ 6.124577602790963e-09 -3.903661679987059e-10 -2.21825823222532e-09 ] [ 6.702689871350593e-10 -2.516620369080559e-09 7.379388393264921e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -29.590937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.740990744896569e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1608497 1.870461 2.8365856 ] [ 2.575008 3.7199513 1.0898721 ] [ 2.2727551 4.4175124 3.214745 ] [ 4.073242 2.0324572 1.1162916 ] [ 4.6970638 1.6871928 3.2574775 ] [ 4.7200919 4.1368625 2.4565128 ] [ 3.5842766 3.1612157 4.5543985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1608497e-10 1.870461e-10 2.8365856e-10 ] [ 2.575008e-10 3.7199513e-10 1.0898721e-10 ] [ 2.2727551e-10 4.4175124e-10 3.214745e-10 ] [ 4.073242e-10 2.0324572e-10 1.1162916e-10 ] [ 4.697063799999999e-10 1.6871928e-10 3.2574775e-10 ] [ 4.7200919e-10 4.1368625e-10 2.4565128e-10 ] [ 3.5842766e-10 3.1612157e-10 4.5543985e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.26e-05 -1.44e-05 5.56e-05 ] [ -3.58e-05 -2.02e-05 -2.37e-05 ] [ 3.5e-05 -1e-05 1.8e-06 ] [ 3.29e-05 9e-07 -3.13e-05 ] [ -1.52e-05 -1.98e-05 1.27e-05 ] [ 3.67e-05 7.08e-05 4.93e-05 ] [ -1e-06 -7.3e-06 -6.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.427449025408001e-14 -2.307134333952e-14 8.908102011648e-14 ] [ -5.735792302464001e-14 -3.236396774016e-14 -3.797158591296e-14 ] [ 5.6076181728e-14 -1.6021766208e-14 2.88391791744e-15 ] [ 5.271161082432e-14 1.44195895872e-15 -5.014812823104e-14 ] [ -2.435308463616e-14 -3.172309709184e-14 2.034764308416e-14 ] [ 5.879988198335999e-14 1.1343410475264e-13 7.898730740544e-14 ] [ -1.6021766208e-15 -1.169588933184e-14 -1.0318017437952e-13 ] ] } "relaxed-potential-energy" { "source-value" -32.399964 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.191046483556165e-18 } }