{ "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" [ [ 0.5178768 0.1602588 0.5935764 ] [ 0.4933098 1.000634 2.761993 ] [ 1.438085 2.624316 0.8145388 ] [ 2.471365 1.192312 0.8679319 ] [ 2.522268 2.85035 2.866422 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.178768e-11 1.602588e-11 5.935764e-11 ] [ 4.933098e-11 1.000634e-10 2.761993e-10 ] [ 1.438085e-10 2.624316e-10 8.145388e-11 ] [ 2.471365e-10 1.192312e-10 8.679319e-11 ] [ 2.522268e-10 2.85035e-10 2.866422e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3591474 -2.0160734 -1.3483063 ] [ -0.8080138 1.698632 2.9532634 ] [ -19.3598135 25.6540575 -2.1822449 ] [ 23.0505802 -23.9141611 -0.5429864 ] [ -0.5236054 -1.4224549 1.1202742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.779770809301105e-09 -3.230105667296767e-09 -2.160224831537351e-09 ] [ -1.294580819643767e-09 2.721508477742746e-09 4.731649574544319e-09 ] [ -3.101784057274822e-08 4.11023311551589e-08 -3.496341759640034e-09 ] [ 3.693110069231539e-08 -3.831470982046481e-08 -8.699601154923571e-10 ] [ -8.389083304046324e-10 -2.279023984922402e-09 1.794877132125424e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.4168587 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.270057884117081e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5566775 0.564789 0.8965394 ] [ 0.373482 0.8535158 3.2714168 ] [ 1.3114385 2.9564175 0.3349973 ] [ 3.0687085 1.0706222 0.6998208 ] [ 2.1325981 2.3825263 2.7016878 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.566775000000001e-11 5.64789e-11 8.965394000000001e-11 ] [ 3.73482e-11 8.535158e-11 3.2714168e-10 ] [ 1.3114385e-10 2.9564175e-10 3.349973e-11 ] [ 3.0687085e-10 1.0706222e-10 6.998208e-11 ] [ 2.1325981e-10 2.3825263e-10 2.701687800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.57e-05 -7.6e-06 -1.3e-06 ] [ -1.8e-06 -2.8e-06 -1.57e-05 ] [ -9.2e-06 -7e-07 6.3e-06 ] [ 1.3e-05 -9.1e-06 -1.5e-06 ] [ 1.37e-05 2.01e-05 1.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.515417294656e-14 -1.217654231808e-14 -2.08282960704e-15 ] [ -2.88391791744e-15 -4.48609453824e-15 -2.515417294656e-14 ] [ -1.474002491136e-14 -1.12152363456e-15 1.009371271104e-14 ] [ 2.08282960704e-14 -1.457980724928e-14 -2.4032649312e-15 ] [ 2.194981970496e-14 3.220375007808e-14 1.954655477376e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363098921002e-18 } }