{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.2583999 -13.0425143 1.9149672 ] [ 11.2254644 -6.5210684 -7.2815133 ] [ 5.8526888 -19.8934533 3.7652501 ] [ 14.5068248 12.6029388 0.631207 ] [ -9.1659873 0.9092135 -24.1187195 ] [ 12.0657074 3.8501078 18.1996064 ] [ -11.2262982 22.094776 6.8892022 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.726406455699706e-08 -2.089641148790968e-08 3.068115677438838e-09 ] [ 1.79851766193027e-08 -1.044790333311766e-08 -1.166627037330426e-08 ] [ 9.377041164178007e-09 -3.187282578423661e-08 6.032595681684862e-09 ] [ 2.324249553660164e-08 2.019213389873321e-08 1.011305098285306e-09 ] [ -1.468553055860972e-08 1.456720613015741e-09 -3.864244850653307e-08 ] [ 1.933139430969356e-08 6.168552704719722e-09 2.915898388184206e-08 ] [ -1.798651251416912e-08 3.539973354901294e-08 1.103771870080392e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 36.048887 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.775668395726105e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0537344 2.1187607 2.8643025 ] [ 5.9825466 2.0481549 1.5082266 ] [ 4.6580681 1.3037245 3.3869324 ] [ 5.6730844 4.3374719 2.0538501 ] [ 3.0400578 3.3070603 0.9840302 ] [ 4.4011492 3.4017812 4.8192986 ] [ 3.0882685 4.8315015 3.7363427 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0537344e-10 2.1187607e-10 2.8643025e-10 ] [ 5.982546600000001e-10 2.0481549e-10 1.5082266e-10 ] [ 4.6580681e-10 1.3037245e-10 3.3869324e-10 ] [ 5.6730844e-10 4.3374719e-10 2.0538501e-10 ] [ 3.0400578e-10 3.3070603e-10 9.840302e-11 ] [ 4.4011492e-10 3.4017812e-10 4.8192986e-10 ] [ 3.0882685e-10 4.8315015e-10 3.7363427e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0894753 2.5736261 -4.7433874 ] [ -2.0853353 3.0266512 2.9260436 ] [ 3.4675572 0.0962167 -0.2273738 ] [ 1.0870446 -3.1171591 -1.4075606 ] [ -3.0501995 -2.0511423 2.8296154 ] [ -0.8602806 0.2904954 -0.1927756 ] [ 1.3517384 -0.818688 0.8154384 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.433552337990662e-10 4.123403568100683e-09 -7.599744395677298e-09 ] [ -3.341075464188955e-09 4.849229791956265e-09 4.688038647361466e-09 ] [ 5.55563907712671e-09 1.541561472705274e-10 -3.642929865424551e-10 ] [ 1.741637443886888e-09 -4.994239433333968e-09 -2.255160685679221e-09 ] [ -4.88695832767585e-09 -3.28629223899394e-09 4.53354363973564e-09 ] [ -1.378321464647796e-09 4.654249383299443e-10 -3.088605593806924e-10 ] [ 2.165723661917599e-09 -1.31168277332951e-09 1.306476340182559e-09 ] ] } "relaxed-potential-energy" { "source-value" -18.427951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.952483226144798e-18 } }