{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7311956 -4.0544287 -13.098397 ] [ -9.4591296 -13.3378195 -4.8298026 ] [ -22.4011593 -2.9461708 18.2093982 ] [ -25.5398402 26.1262791 -9.4649331 ] [ 16.0350733 -21.018109 24.6976869 ] [ 28.3852489 -5.9714228 -26.6538031 ] [ 16.7110025 21.2016718 11.1398507 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.978034357951829e-09 -6.495910873840538e-09 -2.098594544335686e-08 ] [ -1.515519629823726e-08 -2.136954257535035e-08 -7.738196808799054e-09 ] [ -3.589061370927649e-08 -4.720285976643633e-09 2.91746720748776e-08 ] [ -4.0919334867408e-08 4.185891356251567e-08 -1.516449453025607e-08 ] [ 2.569101955407431e-08 -3.367472285322607e-08 3.957005653901843e-08 ] [ 4.547818216316892e-08 -9.567274003072075e-09 -4.270410018222657e-08 ] [ 2.677397751563035e-08 3.396882287983466e-08 1.784800835074252e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.420167 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.150147781463168e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9639311 3.068376 1.0483739 ] [ 1.2080343 1.2901822 2.5049676 ] [ 1.1824458 2.7423233 4.4403383 ] [ 1.5561404 4.7219529 2.9150488 ] [ 3.4794969 2.9220585 5.1794424 ] [ 4.3445239 3.2829689 1.42487 ] [ 4.0160156 4.5426511 3.4645524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9639311e-10 3.068376e-10 1.0483739e-10 ] [ 1.2080343e-10 1.2901822e-10 2.5049676e-10 ] [ 1.1824458e-10 2.7423233e-10 4.4403383e-10 ] [ 1.5561404e-10 4.7219529e-10 2.9150488e-10 ] [ 3.4794969e-10 2.9220585e-10 5.1794424e-10 ] [ 4.344523900000001e-10 3.2829689e-10 1.42487e-10 ] [ 4.016015600000001e-10 4.5426511e-10 3.4645524e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-06 1.13e-05 -5.2e-06 ] [ 1.4e-05 1.1e-06 1.54e-05 ] [ 7e-07 5e-07 -1.02e-05 ] [ 1.3e-06 2.8e-06 6.6e-06 ] [ -4.7e-06 -4.2e-06 -6.3e-06 ] [ 4e-07 -9.4e-06 4.1e-06 ] [ -8.9e-06 -2.1e-06 -4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.8065298624e-15 1.810459581504e-14 -8.33131842816e-15 ] [ 2.24304726912e-14 1.76239428288e-15 2.467351996032e-14 ] [ 1.12152363456e-15 8.010883104e-16 -1.634220153216e-14 ] [ 2.08282960704e-15 4.48609453824e-15 1.057436569728e-14 ] [ -7.53023011776e-15 -6.72914180736e-15 -1.009371271104e-14 ] [ 6.408706483200001e-16 -1.506046023552e-14 6.568924145279999e-15 ] [ -1.425937192512e-14 -3.36457090368e-15 -6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.457688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.797029956682071e-18 } }