{ "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" [ [ 1.08267 0.385996 1.67532 ] [ 0.7413004 2.189146 0.0242846 ] [ 0.0452684 1.636125 2.5153 ] [ 2.351375 1.598321 0.2166547 ] [ 2.147702 1.718144 2.949578 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08267e-10 3.85996e-11 1.67532e-10 ] [ 7.413004e-11 2.189146e-10 2.42846e-12 ] [ 4.52684e-12 1.636125e-10 2.5153e-10 ] [ 2.351375e-10 1.598321e-10 2.166547e-11 ] [ 2.147702e-10 1.718144e-10 2.949578e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.1021635 -19.3850531 -10.5714536 ] [ -24.5854182 9.9714113 -4.6178626 ] [ -16.9969159 13.2206271 8.8849132 ] [ 26.1002246 -7.8589425 -0.7488433 ] [ 8.379946 4.0519572 7.0532462 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.137892041054766e-08 -3.105827912566926e-08 -1.693733594533518e-08 ] [ -3.939018257715833e-08 1.597596219286356e-08 -7.398631556742487e-09 ] [ -2.723206150504308e-08 2.118177982644718e-08 1.423520032415817e-08 ] [ 4.181716999627199e-08 -1.259141404144954e-08 -1.199779237787452e-09 ] [ 1.342615367538176e-08 6.491951147808064e-09 1.130054625548929e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.0145413 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.432004267087984e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9137543 0.2436157 1.7680572 ] [ 0.3890533 2.6945746 -0.0386484 ] [ 0.0890245 1.9206395 2.1915024 ] [ 2.101764 1.1204486 -0.4361172 ] [ 1.8747197 1.5484536 3.8963434 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9137543e-10 2.436157e-11 1.7680572e-10 ] [ 3.890533e-11 2.6945746e-10 -3.86484e-12 ] [ 8.90245e-12 1.9206395e-10 2.1915024e-10 ] [ 2.101764e-10 1.1204486e-10 -4.361172e-11 ] [ 1.8747197e-10 1.5484536e-10 3.8963434e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.78e-05 1.3e-05 4e-07 ] [ -2.01e-05 -3.3e-06 -3.1e-06 ] [ 8.4e-06 7.1e-06 1.2e-05 ] [ 2.79e-05 -6.9e-06 -7.1e-06 ] [ 1.6e-06 -9.8e-06 -2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.851874408519999e-14 2.082829624199999e-14 6.408706536e-16 ] [ -3.22037503434e-14 -5.2871828922e-15 -4.9667475654e-15 ] [ 1.34582837256e-14 1.13754541014e-14 1.9226119608e-14 ] [ 4.470072808859999e-14 -1.10550187746e-14 -1.13754541014e-14 ] [ 2.5634826144e-15 -1.57013310132e-14 -3.5247885948e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.146626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.785886372513688e-18 } }