{ "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" [ [ 0.6547472 0.9054966 1.3407274 ] [ 1.2852004 -0.7970366 -0.0356494 ] [ -2.1425932 2.1838302 0.4668662 ] [ -5.7436484 2.0806687 -3.1543961 ] [ 2.3632592 -3.2779522 0.6358317 ] [ 0.5972493 -4.7804021 -4.8375589 ] [ 2.9857855 3.6853955 5.5841791 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.049020656374262e-09 1.450765482733889e-09 2.14808209514597e-09 ] [ 2.059118033922808e-09 -1.276993406441921e-09 -5.711663522554752e-11 ] [ -3.432812732925059e-09 3.498881690236988e-09 7.48002110681737e-10 ] [ -9.202339184575327e-09 3.333598746770329e-09 -5.053899684162699e-09 ] [ 3.786358639130511e-09 -5.251858378939926e-09 1.018714684503519e-09 ] [ 9.568988652491655e-10 -7.659048482643224e-09 -7.750623771322965e-09 ] [ 4.783755722823639e-09 5.904654508501525e-09 8.946841200379987e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.654065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.270451979228356e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5308352 2.8980971 1.4917279 ] [ 1.9576124 1.1354134 2.9157115 ] [ 1.212674 3.1765587 3.8645023 ] [ 2.0389249 4.9245036 2.5025697 ] [ 3.4277442 2.4084059 4.1841924 ] [ 3.7900539 3.3351605 2.0374119 ] [ 3.7927434 4.6923739 3.9814775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5308352e-10 2.8980971e-10 1.4917279e-10 ] [ 1.9576124e-10 1.1354134e-10 2.9157115e-10 ] [ 1.212674e-10 3.1765587e-10 3.8645023e-10 ] [ 2.0389249e-10 4.9245036e-10 2.5025697e-10 ] [ 3.4277442e-10 2.4084059e-10 4.1841924e-10 ] [ 3.790053900000001e-10 3.3351605e-10 2.0374119e-10 ] [ 3.7927434e-10 4.6923739e-10 3.9814775e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 3.24e-05 -1.07e-05 ] [ 4.4e-05 2.68e-05 5.2e-06 ] [ 5.46e-05 2.87e-05 -2.18e-05 ] [ 1.17e-05 -2.19e-05 -6e-06 ] [ 6.3e-06 -3.69e-05 -5.8e-06 ] [ -8.21e-05 -1.66e-05 7.46e-05 ] [ -3.74e-05 -1.26e-05 -3.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 5.191052251392001e-14 -1.714328984256e-14 ] [ 7.04957713152e-14 4.293833343744e-14 8.33131842816e-15 ] [ 8.747884349568e-14 4.598246901696e-14 -3.492745033344e-14 ] [ 1.874546646336e-14 -3.508766799552e-14 -9.6130597248e-15 ] [ 1.009371271104e-14 -5.912031730752001e-14 -9.292624400640001e-15 ] [ -1.3153870056768e-13 -2.659613190528e-14 1.1952237591168e-13 ] [ -5.992140561792e-14 -2.018742542208e-14 -5.671705237632e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.311325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.856409626047056e-18 } }