{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1154509 -0.7128904 -3.9038617 ] [ -6.3756622 -3.0058475 5.6224424 ] [ -1.4667374 3.3262975 -2.2565309 ] [ 0.7539588 -2.7296825 -3.261925 ] [ 5.0324533 1.9225524 -6.7844908 ] [ 2.3242167 -3.0722713 3.9097661 ] [ 1.8472218 4.2718418 6.6746 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.38932600235427e-09 -1.142176341482914e-09 -6.254675998107517e-09 ] [ -1.021493700311703e-08 -4.815898629867314e-09 9.008145839290881e-09 ] [ -2.349972390493911e-09 5.329316132232614e-09 -3.61536108187899e-09 ] [ 1.207975172358679e-09 -4.373433519738705e-09 -5.226180016860449e-09 ] [ 8.062879088956191e-09 3.080268532920621e-09 -1.086995263334797e-08 ] [ 3.723805689092588e-09 -4.922321290168804e-09 6.264135889825307e-09 ] [ 2.959575605775421e-09 6.8442451161045e-09 1.06938881612964e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.845251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.897818437606513e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0494957 1.970488 1.4104327 ] [ 1.1491281 1.4205647 4.1037392 ] [ 2.4499388 3.8997926 2.6467267 ] [ 3.4302362 0.352571 2.2283262 ] [ 4.9585175 3.1947063 1.3910307 ] [ 4.4769319 1.1970836 4.0194917 ] [ 3.8718368 3.3306101 4.3341249 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0494957e-10 1.970488e-10 1.4104327e-10 ] [ 1.1491281e-10 1.4205647e-10 4.1037392e-10 ] [ 2.4499388e-10 3.8997926e-10 2.6467267e-10 ] [ 3.4302362e-10 3.52571e-11 2.2283262e-10 ] [ 4.9585175e-10 3.1947063e-10 1.3910307e-10 ] [ 4.4769319e-10 1.1970836e-10 4.0194917e-10 ] [ 3.8718368e-10 3.3306101e-10 4.3341249e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 1.88e-05 -3.16e-05 ] [ 6.24e-05 -5.7e-06 3.05e-05 ] [ 1.99e-05 -1.95e-05 1.91e-05 ] [ -2.92e-05 -3.54e-05 -1.39e-05 ] [ 3.33e-05 5.27e-05 -3.86e-05 ] [ -4.64e-05 4e-06 6.8e-05 ] [ -3.21e-05 -1.49e-05 -3.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.23367600818e-14 3.012092071919999e-14 -5.06287816344e-14 ] [ 9.997582196159998e-14 -9.1324068138e-15 4.886638733699999e-14 ] [ 3.18833150166e-14 -3.1242444363e-14 3.06015737094e-14 ] [ -4.67835577128e-14 -5.671705284359999e-14 -2.22702552126e-14 ] [ 5.33524819122e-14 8.44347086118e-14 -6.18440180724e-14 ] [ -7.43409958176e-14 6.408706535999999e-15 1.08948011112e-13 ] [ -5.14298699514e-14 -2.38724318466e-14 -5.351269957559999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.483375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.801145490845975e-18 } }