{ "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" [ [ -9.9831874 -5.2030831 12.1785388 ] [ -9.4285215 10.7049688 -5.1867243 ] [ 16.1813304 -8.6315274 0.2248185 ] [ 17.4525233 19.0844444 -6.8215202 ] [ -11.0859768 -4.3691659 -22.8777821 ] [ -7.9590658 -16.0988984 13.0286961 ] [ 4.8228978 4.5132616 9.4539733 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.599482945334514e-08 -8.336258098899589e-09 1.951217014086569e-08 ] [ -1.510615671601015e-08 1.715125073775343e-08 -8.310048411995246e-09 ] [ 2.592534926032031e-08 -1.382923140207461e-08 3.601989446233249e-10 ] [ 2.796202480522727e-08 3.057665063863748e-08 -1.092928018275494e-08 ] [ -1.77616928476912e-08 -7.00017545737659e-09 -3.665424761637673e-08 ] [ -1.275182914816885e-08 -2.579327863711453e-08 2.087427229092814e-08 ] [ 7.727134099667755e-09 7.231042219074402e-09 1.514693499492742e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.1940902 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.15262031263664e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6013717 1.6276908 5.4441172 ] [ 3.086239 3.7064565 1.5643378 ] [ 5.3439348 1.2443546 3.0543981 ] [ 4.830549 3.5499181 3.1538345 ] [ 1.9458675 1.640628 1.7599821 ] [ 3.1390231 0.4856594 3.4440386 ] [ 3.7417429 3.6935195 5.2484696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6013717e-10 1.6276908e-10 5.4441172e-10 ] [ 3.086239e-10 3.7064565e-10 1.5643378e-10 ] [ 5.3439348e-10 1.2443546e-10 3.0543981e-10 ] [ 4.830549e-10 3.5499181e-10 3.1538345e-10 ] [ 1.9458675e-10 1.640628e-10 1.7599821e-10 ] [ 3.1390231e-10 4.856594e-11 3.4440386e-10 ] [ 3.7417429e-10 3.6935195e-10 5.2484696e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.3e-06 1.5e-06 5.1e-06 ] [ 9.1e-06 -6.3e-06 -1.2e-06 ] [ -2.6e-06 2.6e-06 -1.5e-05 ] [ -3.8e-06 6.8e-06 -2.2e-06 ] [ 4.6e-06 9e-07 8e-07 ] [ -0.0 -5e-07 7.5e-06 ] [ -0.0 -5.1e-06 5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.169588933184e-14 2.4032649312e-15 8.17110076608e-15 ] [ 1.457980724928e-14 -1.009371271104e-14 -1.92261194496e-15 ] [ -4.16565921408e-15 4.16565921408e-15 -2.4032649312e-14 ] [ -6.08827115904e-15 1.089480102144e-14 -3.52478856576e-15 ] [ 7.370012455680001e-15 1.44195895872e-15 1.28174129664e-15 ] [ 0.0 -8.010883104e-16 1.2016324656e-14 ] [ 0.0 -8.17110076608e-15 8.17110076608e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }