{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.2785266 7.5633769 1.4230283 ] [ 4.8437712 1.4920778 -4.5776211 ] [ -0.1774087 -0.2486434 0.2781597 ] [ 0.0 0.0 0.0 ] [ -2.2937916 3.9285621 1.0297252 ] [ -8.9795545 -11.3869123 5.1372343 ] [ 0.3284571 -1.348461 -3.2905264 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.005930853159091e-08 1.211786564347878e-08 2.279942672996769e-09 ] [ 7.760576973144362e-09 2.390572167574698e-09 -7.334157505300779e-09 ] [ -2.84240071466521e-10 -3.983706423962227e-10 4.456609681887418e-10 ] [ 0.0 0.0 0.0 ] [ -3.675059274507425e-09 6.294250349980952e-09 1.649801641288604e-09 ] [ -1.438683228509944e-08 -1.824384467015996e-08 8.230756691031855e-09 ] [ 5.262462865557676e-10 -2.160472688260589e-09 -5.27200446820519e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4932794 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.360773368860225e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2949678 0.8236955 -0.8545369 ] [ 1.9051986 2.0902383 2.6511571 ] [ 1.4950083 1.6445982 4.7689178 ] [ 1.9705835 1.6654447 6.9160754 ] [ 5.1616126 1.450438 2.6571568 ] [ 3.4934163 1.5669255 1.2139217 ] [ 5.4115559 1.1120022 4.8168491 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2949678e-10 8.236955000000001e-11 -8.545369000000001e-11 ] [ 1.9051986e-10 2.0902383e-10 2.6511571e-10 ] [ 1.4950083e-10 1.6445982e-10 4.7689178e-10 ] [ 1.9705835e-10 1.6654447e-10 6.916075400000001e-10 ] [ 5.1616126e-10 1.450438e-10 2.6571568e-10 ] [ 3.4934163e-10 1.5669255e-10 1.2139217e-10 ] [ 5.4115559e-10 1.1120022e-10 4.8168491e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.098004 0.263562 0.4943186 ] [ -0.4376739 -0.0469043 0.4281778 ] [ -0.0850322 0.1825916 -0.217071 ] [ -0.0227549 -0.0229304 0.1008549 ] [ 0.0291007 -0.0585536 -0.1023892 ] [ 0.2221707 -0.3188581 -0.784059 ] [ 0.1961856 0.0010927 0.0801678 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.570197175448832e-10 4.222728745312896e-10 7.91985704146587e-10 ] [ -7.012308901143571e-10 -7.514897287498945e-11 6.860164607055783e-10 ] [ -1.362366028551898e-10 2.925439926744653e-10 -3.477860812536768e-10 ] [ -3.645736878864192e-11 -3.673855078559232e-11 1.615873628731219e-10 ] [ 4.662446118891456e-11 -9.381320898367487e-11 -1.640455824624154e-10 ] [ 3.559567013667706e-10 -5.108669931727085e-10 -1.256200999127827e-09 ] [ 3.143239816576205e-10 1.75069839354816e-12 1.284429749009702e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.436343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.473174786524974e-18 } }