{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7186126 1.2520119 1.3831562 ] [ 0.6980895 1.9761264 -1.8242783 ] [ 1.1342991 0.8068153 0.1482356 ] [ -0.052642 -0.3398741 3.3381612 ] [ -0.4316358 -0.1101129 0.8746569 ] [ -0.5937835 0.9038299 -1.3134153 ] [ -0.0357147 -4.4887965 -2.6065163 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.151344307132302e-09 2.005944195143388e-09 2.216060526554569e-09 ] [ 1.118462676125962e-09 3.166103517825669e-09 -2.922816042092769e-09 ] [ 1.817347499014481e-09 1.292660610963738e-09 2.374996126902605e-10 ] [ -8.434178167215359e-11 -5.445383370354414e-10 5.348323831101673e-09 ] [ -6.915567874603047e-10 -1.764203140284883e-10 1.401354836401403e-09 ] [ -9.51346041516797e-10 1.448095134960002e-09 -2.104323287061018e-09 ] [ -5.722125735888577e-11 -7.191844807828868e-09 -4.176099477594119e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.139332 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.34820032345293e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.111402 3.0453626 1.607808 ] [ 2.4656385 2.570503 3.947357 ] [ 3.5729591 1.2389075 2.2597187 ] [ 4.8609795 2.7326807 3.6586255 ] [ 3.1295029 5.0300089 0.7098521 ] [ 4.58551 3.2128672 1.309586 ] [ 3.4417751 4.5882511 3.0527118 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.111402e-10 3.0453626e-10 1.607808e-10 ] [ 2.4656385e-10 2.570503e-10 3.947357e-10 ] [ 3.5729591e-10 1.2389075e-10 2.2597187e-10 ] [ 4.8609795e-10 2.7326807e-10 3.6586255e-10 ] [ 3.1295029e-10 5.030008900000001e-10 7.098521e-11 ] [ 4.58551e-10 3.2128672e-10 1.309586e-10 ] [ 3.4417751e-10 4.5882511e-10 3.0527118e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-06 1.61e-05 -1.27e-05 ] [ -9.8e-06 7.3e-06 -1.5e-05 ] [ 4e-06 -5.9e-06 1.14e-05 ] [ 2.17e-05 -6.2e-06 4.9e-06 ] [ -6.6e-06 -1.64e-05 1.73e-05 ] [ -2.14e-05 1.43e-05 9.2e-06 ] [ 6e-06 -9.2e-06 -1.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-15 2.579504359488e-14 -2.034764308416e-14 ] [ -1.570133088384e-14 1.169588933184e-14 -2.4032649312e-14 ] [ 6.4087064832e-15 -9.45284206272e-15 1.826481347712e-14 ] [ 3.476723267136e-14 -9.93349504896e-15 7.850665441919999e-15 ] [ -1.057436569728e-14 -2.627569658112e-14 2.771765553984e-14 ] [ -3.428657968511999e-14 2.291112567744e-14 1.474002491136e-14 ] [ 9.6130597248e-15 -1.474002491136e-14 -2.4032649312e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.696935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973496641725e-18 } }