{ "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" [ [ 1.040169 0.3467498 1.049872 ] [ 0.0600036 1.405044 1.572488 ] [ 2.420904 2.65585 0.1683769 ] [ 1.553585 1.595169 0.3590691 ] [ 2.059971 2.654503 2.612695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.040169e-10 3.467498e-11 1.049872e-10 ] [ 6.00036e-12 1.405044e-10 1.572488e-10 ] [ 2.420904e-10 2.65585e-10 1.683769e-11 ] [ 1.553585e-10 1.595169e-10 3.590691e-11 ] [ 2.059971e-10 2.654503e-10 2.612695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.0993722 -39.7401559 3.3713898 ] [ -24.6504278 17.0998885 16.5150551 ] [ 15.476654 19.5820378 -2.5513982 ] [ 2.8548813 3.9159873 -15.1492945 ] [ -0.7804797 -0.8577577 -2.1857522 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.137444816119746e-08 -6.367074868992718e-08 5.401561917163588e-09 ] [ -3.949433911387838e-08 2.739704157298678e-08 2.646003517244381e-08 ] [ 2.47963332070108e-08 3.137388315078186e-08 -4.087790546391202e-09 ] [ 4.574024074019111e-09 6.274103299409716e-09 -2.427184546951402e-08 ] [ -1.250466328348998e-09 -1.37427933325118e-09 -3.501961073702166e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 23.4258970245911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.753242453406814e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8061101 0.3472111 1.3794955 ] [ 0.0808029 2.1773962 1.4696056 ] [ 2.3938666 2.6697825 0.6083999 ] [ 0.8857926 1.304905 -0.5447817 ] [ 1.9680604 2.158021 2.8497817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8061101e-10 3.472111e-11 1.3794955e-10 ] [ 8.08029e-12 2.1773962e-10 1.4696056e-10 ] [ 2.3938666e-10 2.6697825e-10 6.083999e-11 ] [ 8.857926e-11 1.304905e-10 -5.447817000000001e-11 ] [ 1.9680604e-10 2.158021e-10 2.8497817e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 4e-07 -3.8e-06 ] [ 6e-07 -1.3e-06 -4.6e-06 ] [ -3.5e-06 -3.3e-06 -1.7e-06 ] [ 7.4e-06 6.7e-06 2.32e-05 ] [ -3.5e-06 -2.4e-06 -1.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-15 6.408706483200001e-16 -6.08827115904e-15 ] [ 9.6130597248e-16 -2.08282960704e-15 -7.370012455680001e-15 ] [ -5.6076181728e-15 -5.28718284864e-15 -2.72370025536e-15 ] [ 1.185610699392e-14 1.073458335936e-14 3.717049760256e-14 ] [ -5.6076181728e-15 -3.84522388992e-15 -2.114873139456e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }