{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.8053538 -4.0792739 -0.4109016 ] [ -4.8033205 7.7872958 -2.6168353 ] [ -8.2870635 -1.7819448 -0.2487126 ] [ 1.5567211 -2.7221051 -5.5321637 ] [ 1.2308948 0.1936219 8.9891805 ] [ -2.6806672 -3.2856276 2.7192714 ] [ 6.1780816 3.8880338 -2.8998388 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.090337875463244e-08 -6.535717272419636e-09 -6.583369369693133e-10 ] [ -7.695767807309367e-09 1.247662327001403e-08 -4.192632338144154e-09 ] [ -1.327733939478502e-08 -2.854990298116132e-09 -3.984815130183821e-10 ] [ 2.494142151526059e-09 -4.361293150580446e-09 -8.863503342578425e-09 ] [ 1.972110871224292e-09 3.102164814548756e-10 1.440225483725126e-08 ] [ -4.294902315985398e-09 -5.264155725375215e-09 4.356753062690084e-09 ] [ 9.898377900914658e-09 6.229316855240183e-09 -4.646053929448727e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.800562 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.653052737750089e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7407587 1.9840582 3.4119915 ] [ 1.6204815 5.4831227 2.1399673 ] [ 0.65515 3.2936432 2.8909127 ] [ 2.5850494 3.3231478 1.2700049 ] [ 2.5578813 4.3422629 4.2064344 ] [ 4.8669632 2.6768161 2.3189029 ] [ 4.0883534 5.040552 2.3636763 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.740758700000001e-10 1.9840582e-10 3.4119915e-10 ] [ 1.6204815e-10 5.4831227e-10 2.1399673e-10 ] [ 6.5515e-11 3.2936432e-10 2.8909127e-10 ] [ 2.5850494e-10 3.3231478e-10 1.2700049e-10 ] [ 2.5578813e-10 4.3422629e-10 4.2064344e-10 ] [ 4.8669632e-10 2.6768161e-10 2.3189029e-10 ] [ 4.0883534e-10 5.040552e-10 2.3636763e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.2e-06 7.2e-06 -1.17e-05 ] [ 9e-07 1.77e-05 1.48e-05 ] [ 6.21e-05 2.88e-05 4.46e-05 ] [ -2.6e-06 -3.06e-05 -6.19e-05 ] [ -6.53e-05 -2.32e-05 1.86e-05 ] [ 2.82e-05 -4.09e-05 1.97e-05 ] [ -1.61e-05 4.09e-05 -2.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.153567166976e-14 1.153567166976e-14 -1.874546646336e-14 ] [ 1.44195895872e-15 2.835852618816e-14 2.371221398784e-14 ] [ 9.949516815168001e-14 4.614268667904e-14 7.145707728768e-14 ] [ -4.16565921408e-15 -4.902660459647999e-14 -9.917473282752e-14 ] [ -1.0462213333824e-13 -3.717049760256e-14 2.980048514688e-14 ] [ 4.518138070656001e-14 -6.552902379072e-14 3.156287942976e-14 ] [ -2.579504359488e-14 6.552902379072e-14 -3.84522388992e-14 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737757516974e-18 } }