{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.828493 -2.8927632 -5.9728906 ] [ -0.9525189 -33.0538157 14.0461846 ] [ -40.785936 7.3596755 -16.415119 ] [ -4.8554252 -7.8833164 -32.2127205 ] [ 6.3466913 10.179137 32.2202695 ] [ 16.9932312 3.6322723 -23.5447776 ] [ 24.0824506 22.6588105 31.8790536 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.327392115096455e-09 -4.634717568550595e-09 -9.569625677916085e-09 ] [ -1.526103512450133e-09 -5.295805074277199e-08 2.2504468577561e-08 ] [ -6.534627311664507e-08 1.179150002277455e-08 -2.629991988944988e-08 ] [ -7.779248739483165e-09 -1.263046523044922e-08 -5.16104676774649e-08 ] [ 1.016852042029476e-08 1.630877532132025e-08 5.162256250877531e-08 ] [ 2.722615774048913e-08 5.819541759439444e-09 -3.772289221265553e-08 ] [ 3.858433932289094e-08 3.630341643823756e-08 5.107587437115007e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.37279405 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.972819112833462e-20 } "relaxed-configuration-positions" { "source-value" [ [ 2.6848208 1.9124607 1.525732 ] [ 2.7993651 2.4704163 4.0821219 ] [ 1.860652 4.2878436 2.2591652 ] [ 5.0142871 2.8443634 1.2552541 ] [ 5.3745144 2.8164593 3.7527478 ] [ 4.1387002 5.2090681 1.3528594 ] [ 3.9037453 4.9745086 3.9508197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6848208e-10 1.9124607e-10 1.525732e-10 ] [ 2.7993651e-10 2.4704163e-10 4.0821219e-10 ] [ 1.860652e-10 4.287843600000001e-10 2.2591652e-10 ] [ 5.0142871e-10 2.8443634e-10 1.2552541e-10 ] [ 5.3745144e-10 2.8164593e-10 3.7527478e-10 ] [ 4.1387002e-10 5.2090681e-10 1.3528594e-10 ] [ 3.9037453e-10 4.9745086e-10 3.9508197e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.6e-06 3.43e-05 -8.1e-06 ] [ 3.89e-05 2.31e-05 2.6e-06 ] [ 1.84e-05 -4.8e-05 3.77e-05 ] [ 2.8e-06 -1.1e-05 7.8e-06 ] [ -3.75e-05 -1.53e-05 -5.7e-06 ] [ 2.33e-05 1.52e-05 2.73e-05 ] [ -3.63e-05 1.7e-06 -6.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.538089555968e-14 5.495465809344e-14 -1.297763062848e-14 ] [ 6.232467054911999e-14 3.701027994048e-14 4.16565921408e-15 ] [ 2.948004982272e-14 -7.69044777984e-14 6.040205860416e-14 ] [ 4.48609453824e-15 -1.76239428288e-14 1.249697764224e-14 ] [ -6.008162327999999e-14 -2.451330229824e-14 -9.13240673856e-15 ] [ 3.733071526464e-14 2.435308463616e-14 4.373942174784e-14 ] [ -5.815901133504e-14 2.72370025536e-15 -9.869407984128002e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.044153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.852297980353818e-18 } }