{ "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" [ [ 0.6872257 1.0050526 -2.5813341 ] [ -0.7378616 -4.6062352 -1.612982 ] [ -11.1356636 1.7415659 5.388899 ] [ -11.4274055 4.3266882 -2.3390242 ] [ 6.6031651 -3.8575503 4.763678 ] [ 6.6426635 -8.7339999 -13.0287684 ] [ 9.3678763 10.1244786 9.4095317 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.101056949752915e-09 1.610271778394254e-09 -4.135753145493809e-09 ] [ -1.182184604906081e-09 -7.380002347346013e-09 -2.584282050171225e-09 ] [ -1.784129987701356e-08 2.790296168562511e-09 8.633967989652501e-09 ] [ -1.830872192850134e-08 6.932118679531235e-09 -3.747529888725423e-09 ] [ 1.057943674650249e-08 -6.180476904220027e-09 7.632253520619301e-09 ] [ 1.06427201595415e-08 -1.399341044584954e-08 -2.087438812829782e-08 ] [ 1.500899239440641e-08 1.622120291070991e-08 1.507573170241648e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3533226 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.498567479652027e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7690161 2.8205169 0.8358591 ] [ 1.2364864 1.2779324 2.6203592 ] [ 1.3211464 2.9316072 4.3786256 ] [ 1.7846263 4.6487634 2.6201471 ] [ 3.7608727 2.5876966 4.5238897 ] [ 3.9406436 3.2408548 2.0658005 ] [ 3.9377965 5.0631417 3.932912 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7690161e-10 2.8205169e-10 8.358591e-11 ] [ 1.2364864e-10 1.2779324e-10 2.6203592e-10 ] [ 1.3211464e-10 2.931607200000001e-10 4.378625600000001e-10 ] [ 1.7846263e-10 4.6487634e-10 2.6201471e-10 ] [ 3.7608727e-10 2.5876966e-10 4.5238897e-10 ] [ 3.9406436e-10 3.2408548e-10 2.0658005e-10 ] [ 3.937796500000001e-10 5.0631417e-10 3.932912e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.18e-05 -5.9e-06 -1.68e-05 ] [ 1.73e-05 -2e-06 2.45e-05 ] [ -2.7e-06 1.92e-05 -2.71e-05 ] [ -1.67e-05 -7e-06 3.06e-05 ] [ -1.61e-05 -5.4e-06 -4.1e-06 ] [ -1.28e-05 1.65e-05 -2.5e-06 ] [ 1.93e-05 -1.54e-05 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.890568412544e-14 -9.45284206272e-15 -2.691656722944e-14 ] [ 2.771765553984e-14 -3.2043532416e-15 3.92533272096e-14 ] [ -4.32587687616e-15 3.076179111936e-14 -4.341898642368e-14 ] [ -2.675634956736e-14 -1.12152363456e-14 4.902660459647999e-14 ] [ -2.579504359488e-14 -8.65175375232e-15 -6.568924145279999e-15 ] [ -2.050786074624e-14 2.64359142432e-14 -4.005441552e-15 ] [ 3.092200878144e-14 -2.467351996032e-14 -7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.547991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.811498092220881e-18 } }