{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5485971 0.5343947 2.664941 ] [ 1.37313 2.35631 1.443365 ] [ 2.145447 0.6526892 0.5854964 ] [ 2.929696 0.0722677 2.986283 ] [ 2.995983 2.738917 0.2990299 ] [ 2.823077 2.78342 2.858653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.485971e-11 5.343947e-11 2.664941e-10 ] [ 1.37313e-10 2.35631e-10 1.443365e-10 ] [ 2.145447e-10 6.526892e-11 5.854964e-11 ] [ 2.929696e-10 7.22677e-12 2.986283e-10 ] [ 2.995983e-10 2.738917e-10 2.990299e-11 ] [ 2.823077e-10 2.78342e-10 2.858653e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0374948 -0.273337 -0.0981311 ] [ -6.2088205 2.068691 1.0693985 ] [ 1.0672096 -3.8288659 -0.746004 ] [ -0.9799169 1.5426781 -0.633298 ] [ 2.8083146 1.1280471 -1.5242574 ] [ 2.2757184 -0.6372134 1.9322919 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.662249912761572e-09 -4.379341509996097e-10 -1.572233541933869e-10 ] [ -9.947627047843765e-09 3.314408355859373e-09 1.713365275018589e-09 ] [ 1.70985827061332e-09 -6.134519429158351e-09 -1.195230167823283e-09 ] [ -1.569999947506812e-09 2.471642785240165e-09 -1.014655249599399e-09 ] [ 4.499415995971304e-09 1.80733069078124e-09 -2.442129570361394e-09 ] [ 3.646102816004383e-09 -1.020928411940479e-09 3.095872906741212e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.005626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.564383977846862e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.654384 0.5528208 2.1187651 ] [ 0.9205606 2.8459579 1.8872305 ] [ 2.4935419 0.1912384 0.6519114 ] [ 2.8607731 0.3852336 2.9955002 ] [ 2.7597245 2.4843757 0.4203852 ] [ 3.1269459 2.6783722 2.7639759 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.54384e-11 5.528208e-11 2.1187651e-10 ] [ 9.205606e-11 2.8459579e-10 1.8872305e-10 ] [ 2.4935419e-10 1.912384e-11 6.519114000000001e-11 ] [ 2.8607731e-10 3.852336e-11 2.9955002e-10 ] [ 2.7597245e-10 2.4843757e-10 4.203852e-11 ] [ 3.1269459e-10 2.6783722e-10 2.7639759e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-06 2.4e-06 -6.8e-06 ] [ 6e-07 4e-07 7e-06 ] [ 4.6e-06 6e-07 2.4e-06 ] [ -5.3e-06 2.1e-06 2.7e-06 ] [ -5.5e-06 -2.5e-06 6e-07 ] [ 1.5e-06 -3e-06 -6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.72914180736e-15 3.84522388992e-15 -1.089480102144e-14 ] [ 9.6130597248e-16 6.408706483200001e-16 1.12152363456e-14 ] [ 7.370012455680001e-15 9.6130597248e-16 3.84522388992e-15 ] [ -8.491536090240001e-15 3.36457090368e-15 4.32587687616e-15 ] [ -8.8119714144e-15 -4.005441552e-15 9.6130597248e-16 ] [ 2.4032649312e-15 -4.8065298624e-15 -9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }