{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.016035 -4.1563558 -3.4842057 ] [ -1.4805801 1.7537023 -3.9434629 ] [ 8.3500285 -4.1197201 -0.1016141 ] [ 1.4623893 7.636111 5.3886176 ] [ -10.1261098 2.742649 -1.1861698 ] [ -2.9098459 -4.4230852 5.2299332 ] [ 4.720153 0.5666988 -1.9030983 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.5690902114528e-11 -6.65921609048648e-09 -5.582312914598099e-09 ] [ -2.372150821441726e-09 2.809740824903188e-09 -6.318124063372169e-09 ] [ 1.337822044571369e-08 -6.600519228459838e-09 -1.628037353636333e-10 ] [ 2.343005946968078e-09 1.223439851803371e-08 8.633517137151406e-09 ] [ -1.622381638121376e-08 4.394208106860499e-09 -1.900453521859012e-09 ] [ -4.662087071110735e-09 -7.086563699246492e-09 8.37927670138573e-09 ] [ 7.562518783198982e-09 9.07951568395415e-10 -3.049099603344225e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.654264 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.98874256590311e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0786181 2.0641584 4.4138513 ] [ 2.3519677 4.0225063 2.8274434 ] [ 5.3288445 0.9578036 2.747282 ] [ 4.7944599 3.3534542 2.7127263 ] [ 2.9359514 1.7425928 2.0318111 ] [ 3.3854282 0.0352434 3.9648807 ] [ 3.8134582 3.7724681 4.9711832 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0786181e-10 2.0641584e-10 4.4138513e-10 ] [ 2.3519677e-10 4.0225063e-10 2.8274434e-10 ] [ 5.3288445e-10 9.578036e-11 2.747282e-10 ] [ 4.7944599e-10 3.3534542e-10 2.7127263e-10 ] [ 2.9359514e-10 1.7425928e-10 2.0318111e-10 ] [ 3.385428200000001e-10 3.52434e-12 3.9648807e-10 ] [ 3.8134582e-10 3.7724681e-10 4.9711832e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001339 6.04e-05 3.73e-05 ] [ 7.79e-05 -7.33e-05 2.1e-05 ] [ -1.56e-05 -9.7e-06 5.42e-05 ] [ -7.68e-05 -3.8e-06 -6e-07 ] [ -3.4e-06 2.56e-05 2.95e-05 ] [ -2.97e-05 -5.41e-05 -0.000108 ] [ -8.63e-05 5.49e-05 -3.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.1453144952512e-13 9.677146789632e-14 5.976118795584e-14 ] [ 1.2480955876032e-13 -1.1743954630464e-13 3.36457090368e-14 ] [ -2.499395528448e-14 -1.554111322176e-14 8.683797284736e-14 ] [ -1.2304716447744e-13 -6.08827115904e-15 -9.6130597248e-16 ] [ -5.44740051072e-15 4.101572149248001e-14 4.72642103136e-14 ] [ -4.758464563776e-14 -8.667775518528e-14 -1.730350750464e-13 ] [ -1.3826784237504e-13 8.795949648192e-14 -5.36729167968e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.198393 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.877009952553038e-18 } }