{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5557717 -0.3962906 -0.2882775 ] [ 1.6835299 -0.46317 1.6598866 ] [ -1.0581048 0.462219 0.47405 ] [ 2.4877881 1.585731 -0.5658194 ] [ -1.772827 -2.962304 -0.7665477 ] [ -3.0736572 -1.111313 1.2950841 ] [ 3.2890427 2.8851277 -1.8083762 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.492621045042271e-09 -6.349275343628045e-10 -4.61871470802672e-10 ] [ 2.697312246197762e-09 -7.420801454559361e-10 2.659431503699202e-09 ] [ -1.69527077291626e-09 7.405564754895553e-10 7.595118270902401e-10 ] [ 3.985875931324452e-09 2.540621135077805e-09 -9.065426142750835e-10 ] [ -2.840381972123002e-09 -4.746134212502323e-09 -1.228144803668012e-09 ] [ -4.924541706193591e-09 -1.78051970699111e-09 2.074953466989809e-09 ] [ 5.269627318752909e-09 4.622484148962476e-09 -2.897338069251145e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.556422 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.293501873569878e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.103727 0.5054088 1.175879 ] [ 2.044358 0.6920655 2.098527 ] [ 2.2602338 2.8211571 3.3211743 ] [ 1.7979522 0.6636226 4.5934075 ] [ 4.105831 0.6627635 3.5393505 ] [ 3.5236101 2.2362294 5.4466112 ] [ 4.7657458 3.0863192 3.3442806 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.03727e-11 5.054088e-11 1.175879e-10 ] [ 2.044358e-10 6.920655e-11 2.098527e-10 ] [ 2.2602338e-10 2.8211571e-10 3.3211743e-10 ] [ 1.7979522e-10 6.636226e-11 4.5934075e-10 ] [ 4.105831000000001e-10 6.627635e-11 3.5393505e-10 ] [ 3.5236101e-10 2.2362294e-10 5.446611200000001e-10 ] [ 4.765745800000001e-10 3.0863192e-10 3.3442806e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-06 1.32e-05 2.56e-05 ] [ 9.1e-06 -1.9e-06 3.64e-05 ] [ 3.5e-06 -2.91e-05 -1.48e-05 ] [ 2.06e-05 2.72e-05 -5.17e-05 ] [ 1.16e-05 4.8e-05 -2.6e-06 ] [ -2.92e-05 -2.04e-05 8.8e-06 ] [ -1.44e-05 -3.69e-05 -1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.92261194496e-15 2.114873139456e-14 4.101572149248001e-14 ] [ 1.457980724928e-14 -3.04413557952e-15 5.831922899712e-14 ] [ 5.6076181728e-15 -4.662333966527999e-14 -2.371221398784e-14 ] [ 3.300483838848e-14 4.357920408576e-14 -8.283253129536002e-14 ] [ 1.858524880128e-14 7.69044777984e-14 -4.16565921408e-15 ] [ -4.678355732736e-14 -3.268440306432e-14 1.409915426304e-14 ] [ -2.307134333952e-14 -5.912031730752001e-14 -2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -23.349854 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.741059017789337e-18 } }