{ "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" [ [ -1.1545032 -0.7733815 2.9942497 ] [ 0.3285215 0.2123824 -1.4024457 ] [ 3.7613181 0.21654 -1.3599081 ] [ 3.4102881 5.9528007 4.5978379 ] [ -4.5546407 -2.6709132 -5.1157126 ] [ -3.3068885 -2.3410602 3.0175992 ] [ 1.5159046 -0.5963682 -2.7316202 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.849718050918228e-09 -1.239093768467871e-09 4.797316905701509e-09 ] [ 5.26349471066631e-10 3.402741187528416e-10 -2.246965730993773e-09 ] [ 6.026295972861274e-09 3.4693532832636e-10 -2.178812982207335e-09 ] [ 5.463883909028254e-09 9.537438188398842e-09 7.366548450299628e-09 ] [ -7.297338905805404e-09 -4.279274720482169e-09 -8.196275193979387e-09 ] [ -5.298219485943308e-09 -3.750791951227366e-09 4.834726929017092e-09 ] [ 2.428746929493117e-09 -9.554871953006388e-10 -4.376538057402407e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.596459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.1396988718939e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1755734 2.1077852 4.9011459 ] [ 2.3264586 3.5707644 2.9532636 ] [ 5.2353445 1.0110702 2.9087764 ] [ 4.812228 3.3812658 2.699355 ] [ 3.2457133 1.7121533 1.6797822 ] [ 3.0638394 0.3118353 3.6705972 ] [ 3.8295707 3.8533527 4.8562577 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1755734e-10 2.1077852e-10 4.901145900000001e-10 ] [ 2.3264586e-10 3.5707644e-10 2.9532636e-10 ] [ 5.2353445e-10 1.0110702e-10 2.9087764e-10 ] [ 4.812228000000001e-10 3.3812658e-10 2.699355e-10 ] [ 3.2457133e-10 1.7121533e-10 1.6797822e-10 ] [ 3.0638394e-10 3.118353e-11 3.6705972e-10 ] [ 3.8295707e-10 3.8533527e-10 4.8562577e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.4e-06 1.3e-05 1.9e-06 ] [ 1.12e-05 -8.1e-06 2.6e-06 ] [ -1.16e-05 6.4e-06 2.24e-05 ] [ -7.2e-06 -6.1e-06 -5.9e-06 ] [ -8.2e-06 1.98e-05 -7e-06 ] [ 1.43e-05 -1.12e-05 -4.8e-06 ] [ -3.8e-06 -1.39e-05 -9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.6517538236e-15 2.082829624199999e-14 3.0441356046e-15 ] [ 1.79443783008e-14 -1.29776307354e-14 4.165659248399999e-15 ] [ -1.85852489544e-14 1.02539304576e-14 3.588875660159999e-14 ] [ -1.15356717648e-14 -9.773277467399999e-15 -9.452842140600001e-15 ] [ -1.31378483988e-14 3.17230973532e-14 -1.1215236438e-14 ] [ 2.29111258662e-14 -1.79443783008e-14 -7.690447843199998e-15 ] [ -6.088271209199999e-15 -2.22702552126e-14 -1.49002426962e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.475251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.600932199548513e-18 } }