{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2482594 0.208506 0.7144033 ] [ 0.1842271 0.5542422 2.415306 ] [ 0.3347056 2.949491 0.3757933 ] [ 2.042519 0.2544893 1.784175 ] [ 2.203059 1.053322 2.694572 ] [ 1.978392 2.822156 1.26577 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.482594e-11 2.08506e-11 7.144033e-11 ] [ 1.842271e-11 5.542422e-11 2.415306e-10 ] [ 3.347056e-11 2.949491e-10 3.757933e-11 ] [ 2.042519e-10 2.544893e-11 1.784175e-10 ] [ 2.203059e-10 1.053322e-10 2.694572e-10 ] [ 1.978392e-10 2.822156e-10 1.26577e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.2388002 -9.7766651 -35.93913 ] [ -31.7803001 7.3314341 36.3470643 ] [ -10.844015 7.275462 -5.7500924 ] [ 15.141116 -136.1508082 -131.4810536 ] [ 29.5046994 115.4178828 139.4683208 ] [ 9.2172999 15.9026944 -2.6451093 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.800654292628236e-08 -1.56639442526113e-08 -5.75808338578919e-08 ] [ -5.091765382222791e-08 1.174625231195589e-08 5.823441665617432e-08 ] [ -1.737402730860451e-08 1.165657512191881e-08 -9.212663610719761e-09 ] [ 2.425874206802081e-08 -2.181376418010649e-07 -2.106558701560717e-07 ] [ 4.727173958241179e-08 1.849198334443944e-07 2.234528829279943e-07 ] [ 1.476774240668218e-08 2.547892517540709e-08 -4.237932279920653e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 78.021473 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.250041799609784e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4355052 -0.5462972 0.5002874 ] [ 0.0983807 1.2508047 3.2370538 ] [ 0.3988703 3.1203572 0.5553668 ] [ 2.2212486 -1.0517638 0.3040503 ] [ 1.708127 1.2541441 4.1812928 ] [ 2.1290303 3.8149614 0.4719685 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.355052e-11 -5.462972e-11 5.002874e-11 ] [ 9.83807e-12 1.2508047e-10 3.2370538e-10 ] [ 3.988703e-11 3.1203572e-10 5.553668000000001e-11 ] [ 2.2212486e-10 -1.0517638e-10 3.040503e-11 ] [ 1.708127e-10 1.2541441e-10 4.1812928e-10 ] [ 2.1290303e-10 3.8149614e-10 4.719685e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.05e-05 2.85e-05 3.92e-05 ] [ -9.73e-05 -1.86e-05 -5.57e-05 ] [ -1.56e-05 -2.96e-05 3.65e-05 ] [ 2.31e-05 -2.9e-05 -3.81e-05 ] [ 6.29e-05 1.4e-05 5.01e-05 ] [ 3.73e-05 3.48e-05 -3.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.68228545184e-14 4.56620336928e-14 6.280532353535999e-14 ] [ -1.5589178520384e-13 -2.980048514688e-14 -8.924123777856e-14 ] [ -2.499395528448e-14 -4.742442797568e-14 5.84794466592e-14 ] [ 3.701027994048e-14 -4.64631220032e-14 -6.104292925248e-14 ] [ 1.0077690944832e-13 2.24304726912e-14 8.026904870208e-14 ] [ 5.976118795584e-14 5.575574640383999e-14 -5.12696518656e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.352436 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.183431658512826e-18 } }