{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7201578 -3.1002108 -3.6393418 ] [ -4.1410979 5.3281366 -3.520271 ] [ -5.159466 -6.4306265 3.7323665 ] [ -1.4756492 0.7898624 1.4633756 ] [ 6.0985309 -3.701478 1.2374526 ] [ 1.5499589 1.4333198 -4.0838993 ] [ 3.8478812 5.6809966 4.8103172 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.153819999952845e-09 -4.967085304234447e-09 -5.8308683950995e-09 ] [ -6.634770294486469e-09 8.536615963280203e-09 -5.640095941547813e-09 ] [ -8.266375869117444e-09 -1.03029995202812e-08 5.97991039582436e-09 ] [ -2.364250668220793e-09 1.265499081355161e-09 2.34458619308573e-09 ] [ 9.77092370970699e-09 -5.930421562865051e-09 1.982617641402548e-09 ] [ 2.483307933240342e-09 2.296431492609553e-09 -6.543128034068955e-09 ] [ 6.16498534904788e-09 9.101960010353444e-09 7.706977819968304e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.494505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.001840396439617e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.140669 2.4111384 0.735219 ] [ 1.9492875 5.085675 2.2747425 ] [ 1.9866715 2.7279232 3.2297191 ] [ 4.5497015 3.0739089 0.9765862 ] [ 4.4130149 2.988569 3.435111 ] [ 3.8101977 5.3319093 0.7580254 ] [ 4.0520269 5.4686551 3.810961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.140669e-10 2.4111384e-10 7.352189999999999e-11 ] [ 1.9492875e-10 5.085675000000001e-10 2.2747425e-10 ] [ 1.9866715e-10 2.7279232e-10 3.2297191e-10 ] [ 4.5497015e-10 3.0739089e-10 9.765862e-11 ] [ 4.4130149e-10 2.988569e-10 3.435111e-10 ] [ 3.8101977e-10 5.331909300000001e-10 7.580254e-11 ] [ 4.0520269e-10 5.468655100000001e-10 3.810961e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.19e-05 -1.07e-05 2.53e-05 ] [ -4.09e-05 4e-07 3.06e-05 ] [ -7.5e-06 1.65e-05 -2.77e-05 ] [ -4.8e-06 8.2e-06 3.1e-06 ] [ -4e-06 -6.4e-06 -1e-05 ] [ 2.44e-05 -4e-07 7.8e-06 ] [ 1.09e-05 -7.6e-06 -2.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.50876682846e-14 -1.71432899838e-14 4.053506884019999e-14 ] [ -6.552902433059999e-14 6.408706536e-16 4.90266050004e-14 ] [ -1.2016324755e-14 2.6435914461e-14 -4.438029276179999e-14 ] [ -7.690447843199998e-15 1.31378483988e-14 4.9667475654e-15 ] [ -6.408706535999999e-15 -1.02539304576e-14 -1.602176634e-14 ] [ 3.909310986959999e-14 -6.408706536e-16 1.24969777452e-14 ] [ 1.74637253106e-14 -1.21765424184e-14 -4.66233400494e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.508478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.965385098250305e-18 } }